From e4071d7f46d9c6c8e47ffb38dd905d8e45fc5d13 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 27 Apr 2018 17:41:04 -0400 Subject: [PATCH 1/3] replace C-style include files with their C++ equivalents --- src/ASPHERE/compute_temp_asphere.cpp | 2 +- src/ASPHERE/fix_nh_asphere.cpp | 6 +++--- src/ASPHERE/fix_nph_asphere.cpp | 2 +- src/ASPHERE/fix_npt_asphere.cpp | 2 +- src/ASPHERE/fix_nve_asphere.cpp | 6 +++--- src/ASPHERE/fix_nve_asphere_noforce.cpp | 6 +++--- src/ASPHERE/fix_nve_line.cpp | 6 +++--- src/ASPHERE/fix_nve_tri.cpp | 6 +++--- src/ASPHERE/fix_nvt_asphere.cpp | 2 +- src/ASPHERE/pair_gayberne.cpp | 8 ++++---- src/ASPHERE/pair_line_lj.cpp | 8 ++++---- src/ASPHERE/pair_resquared.cpp | 8 ++++---- src/ASPHERE/pair_tri_lj.cpp | 8 ++++---- src/BODY/body_nparticle.cpp | 2 +- src/BODY/compute_body_local.cpp | 4 ++-- src/BODY/compute_temp_body.cpp | 2 +- src/BODY/fix_nh_body.cpp | 6 +++--- src/BODY/fix_nph_body.cpp | 2 +- src/BODY/fix_npt_body.cpp | 2 +- src/BODY/fix_nve_body.cpp | 6 +++--- src/BODY/fix_nvt_body.cpp | 2 +- src/BODY/pair_body.cpp | 8 ++++---- src/CLASS2/angle_class2.cpp | 6 +++--- src/CLASS2/angle_class2.h | 2 +- src/CLASS2/bond_class2.cpp | 4 ++-- src/CLASS2/bond_class2.h | 2 +- src/CLASS2/dihedral_class2.cpp | 6 +++--- src/CLASS2/dihedral_class2.h | 2 +- src/CLASS2/improper_class2.cpp | 6 +++--- src/CLASS2/improper_class2.h | 2 +- src/CLASS2/pair_lj_class2.cpp | 6 +++--- src/CLASS2/pair_lj_class2_coul_cut.cpp | 6 +++--- src/CLASS2/pair_lj_class2_coul_long.cpp | 8 ++++---- src/COLLOID/fix_wall_colloid.cpp | 4 ++-- src/COLLOID/pair_brownian.cpp | 8 ++++---- src/COLLOID/pair_brownian_poly.cpp | 8 ++++---- src/COLLOID/pair_colloid.cpp | 8 ++++---- src/COLLOID/pair_lubricate.cpp | 8 ++++---- src/COLLOID/pair_lubricateU.cpp | 8 ++++---- src/COLLOID/pair_lubricateU_poly.cpp | 8 ++++---- src/COLLOID/pair_lubricate_poly.cpp | 8 ++++---- src/COLLOID/pair_yukawa_colloid.cpp | 4 ++-- src/COMPRESS/dump_atom_gz.cpp | 2 +- src/COMPRESS/dump_cfg_gz.cpp | 2 +- src/COMPRESS/dump_custom_gz.cpp | 2 +- src/COMPRESS/dump_xyz_gz.cpp | 2 +- src/CORESHELL/compute_temp_cs.cpp | 6 +++--- src/CORESHELL/pair_born_coul_dsf_cs.cpp | 8 ++++---- src/CORESHELL/pair_born_coul_long_cs.cpp | 8 ++++---- src/CORESHELL/pair_born_coul_wolf_cs.cpp | 8 ++++---- src/CORESHELL/pair_buck_coul_long_cs.cpp | 8 ++++---- src/CORESHELL/pair_coul_long_cs.cpp | 8 ++++---- src/CORESHELL/pair_coul_wolf_cs.cpp | 8 ++++---- src/CORESHELL/pair_lj_cut_coul_long_cs.cpp | 8 ++++---- src/DIPOLE/atom_vec_dipole.cpp | 4 ++-- src/DIPOLE/pair_lj_cut_dipole_cut.cpp | 6 +++--- src/DIPOLE/pair_lj_cut_dipole_long.cpp | 9 ++++----- src/DIPOLE/pair_lj_long_dipole_long.cpp | 8 ++++---- src/GPU/fix_gpu.cpp | 4 ++-- src/GPU/pair_beck_gpu.cpp | 8 ++++---- src/GPU/pair_born_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_born_coul_wolf_gpu.cpp | 8 ++++---- src/GPU/pair_born_gpu.cpp | 8 ++++---- src/GPU/pair_buck_coul_cut_gpu.cpp | 8 ++++---- src/GPU/pair_buck_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_buck_gpu.cpp | 8 ++++---- src/GPU/pair_colloid_gpu.cpp | 8 ++++---- src/GPU/pair_coul_cut_gpu.cpp | 8 ++++---- src/GPU/pair_coul_debye_gpu.cpp | 8 ++++---- src/GPU/pair_coul_dsf_gpu.cpp | 8 ++++---- src/GPU/pair_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_dpd_gpu.cpp | 8 ++++---- src/GPU/pair_dpd_tstat_gpu.cpp | 8 ++++---- src/GPU/pair_eam_alloy_gpu.cpp | 6 +++--- src/GPU/pair_eam_fs_gpu.cpp | 6 +++--- src/GPU/pair_eam_gpu.cpp | 8 ++++---- src/GPU/pair_eam_gpu.h | 2 +- src/GPU/pair_gauss_gpu.cpp | 8 ++++---- src/GPU/pair_gayberne_gpu.cpp | 8 ++++---- src/GPU/pair_lj96_cut_gpu.cpp | 8 ++++---- src/GPU/pair_lj_charmm_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_lj_class2_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_lj_class2_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cubic_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_coul_cut_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_coul_debye_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_coul_dsf_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_coul_msm_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_dipole_cut_gpu.cpp | 8 ++++---- src/GPU/pair_lj_cut_gpu.cpp | 8 ++++---- src/GPU/pair_lj_expand_gpu.cpp | 8 ++++---- src/GPU/pair_lj_gromacs_gpu.cpp | 8 ++++---- src/GPU/pair_lj_sdk_coul_long_gpu.cpp | 8 ++++---- src/GPU/pair_lj_sdk_gpu.cpp | 8 ++++---- src/GPU/pair_lj_sf_dipole_sf_gpu.cpp | 8 ++++---- src/GPU/pair_mie_cut_gpu.cpp | 8 ++++---- src/GPU/pair_morse_gpu.cpp | 8 ++++---- src/GPU/pair_resquared_gpu.cpp | 8 ++++---- src/GPU/pair_soft_gpu.cpp | 8 ++++---- src/GPU/pair_sw_gpu.cpp | 8 ++++---- src/GPU/pair_table_gpu.cpp | 8 ++++---- src/GPU/pair_tersoff_gpu.cpp | 8 ++++---- src/GPU/pair_tersoff_mod_gpu.cpp | 8 ++++---- src/GPU/pair_tersoff_zbl_gpu.cpp | 8 ++++---- src/GPU/pair_ufm_gpu.cpp | 8 ++++---- src/GPU/pair_vashishta_gpu.cpp | 8 ++++---- src/GPU/pair_yukawa_colloid_gpu.cpp | 8 ++++---- src/GPU/pair_yukawa_gpu.cpp | 8 ++++---- src/GPU/pair_zbl_gpu.cpp | 8 ++++---- src/GPU/pppm_gpu.cpp | 8 ++++---- src/GRANULAR/fix_freeze.cpp | 2 +- src/GRANULAR/fix_pour.cpp | 6 +++--- src/GRANULAR/fix_wall_gran.cpp | 6 +++--- src/GRANULAR/fix_wall_gran_region.cpp | 6 +++--- src/GRANULAR/pair_gran_hertz_history.cpp | 8 ++++---- src/GRANULAR/pair_gran_hooke.cpp | 6 +++--- src/GRANULAR/pair_gran_hooke_history.cpp | 8 ++++---- src/KOKKOS/angle_charmm_kokkos.cpp | 4 ++-- src/KOKKOS/angle_class2_kokkos.cpp | 4 ++-- src/KOKKOS/angle_harmonic_kokkos.cpp | 4 ++-- src/KOKKOS/atom_vec_angle_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_atomic_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_bond_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_charge_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_dpd_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_full_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_hybrid_kokkos.cpp | 4 ++-- src/KOKKOS/atom_vec_hybrid_kokkos.h | 2 +- src/KOKKOS/atom_vec_molecular_kokkos.cpp | 2 +- src/KOKKOS/bond_class2_kokkos.cpp | 4 ++-- src/KOKKOS/bond_fene_kokkos.cpp | 4 ++-- src/KOKKOS/bond_harmonic_kokkos.cpp | 4 ++-- src/KOKKOS/comm_tiled_kokkos.cpp | 2 +- src/KOKKOS/compute_temp_kokkos.cpp | 2 +- src/KOKKOS/dihedral_charmm_kokkos.cpp | 4 ++-- src/KOKKOS/dihedral_class2_kokkos.cpp | 4 ++-- src/KOKKOS/dihedral_opls_kokkos.cpp | 4 ++-- src/KOKKOS/fix_deform_kokkos.cpp | 6 +++--- src/KOKKOS/fix_dpd_energy_kokkos.cpp | 4 ++-- src/KOKKOS/fix_eos_table_rx_kokkos.cpp | 10 +++++----- src/KOKKOS/fix_langevin_kokkos.cpp | 6 +++--- src/KOKKOS/fix_momentum_kokkos.cpp | 4 ++-- src/KOKKOS/fix_nh_kokkos.cpp | 6 +++--- src/KOKKOS/fix_nph_kokkos.cpp | 2 +- src/KOKKOS/fix_npt_kokkos.cpp | 2 +- src/KOKKOS/fix_nve_kokkos.cpp | 4 ++-- src/KOKKOS/fix_nvt_kokkos.cpp | 2 +- src/KOKKOS/fix_property_atom_kokkos.cpp | 4 ++-- src/KOKKOS/fix_qeq_reax_kokkos.cpp | 8 ++++---- src/KOKKOS/fix_reaxc_bonds_kokkos.cpp | 4 ++-- src/KOKKOS/fix_reaxc_species_kokkos.cpp | 6 +++--- src/KOKKOS/fix_rx_kokkos.cpp | 6 +++--- src/KOKKOS/fix_setforce_kokkos.cpp | 4 ++-- src/KOKKOS/fix_shardlow_kokkos.cpp | 8 ++++---- src/KOKKOS/fix_shardlow_kokkos.h | 1 - src/KOKKOS/fix_wall_lj93_kokkos.cpp | 2 +- src/KOKKOS/fix_wall_reflect_kokkos.cpp | 4 ++-- src/KOKKOS/improper_class2_kokkos.cpp | 4 ++-- src/KOKKOS/improper_harmonic_kokkos.cpp | 4 ++-- src/KOKKOS/kokkos.cpp | 10 +++++----- src/KOKKOS/math_special_kokkos.cpp | 4 ++-- src/KOKKOS/math_special_kokkos.h | 2 +- src/KOKKOS/neigh_bond_kokkos.cpp | 2 +- src/KOKKOS/neighbor_kokkos.h | 2 +- src/KOKKOS/pair_buck_coul_cut_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_buck_coul_long_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_buck_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_coul_cut_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_coul_debye_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_coul_dsf_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_coul_long_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_coul_wolf_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_eam_alloy_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_eam_alloy_kokkos.h | 2 +- src/KOKKOS/pair_eam_fs_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_eam_fs_kokkos.h | 2 +- src/KOKKOS/pair_eam_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_eam_kokkos.h | 2 +- src/KOKKOS/pair_exp6_rx_kokkos.cpp | 10 +++++----- src/KOKKOS/pair_hybrid_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_hybrid_kokkos.h | 2 +- src/KOKKOS/pair_hybrid_overlay_kokkos.cpp | 6 +++--- ..._lj_charmm_coul_charmm_implicit_kokkos.cpp | 8 ++++---- .../pair_lj_charmm_coul_charmm_kokkos.cpp | 8 ++++---- .../pair_lj_charmm_coul_long_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp | 8 ++++---- .../pair_lj_class2_coul_long_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_class2_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_cut_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_expand_kokkos.cpp | 8 ++++---- .../pair_lj_gromacs_coul_gromacs_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_gromacs_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_lj_sdk_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_morse_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp | 6 +++--- src/KOKKOS/pair_reaxc_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_reaxc_kokkos.h | 2 +- src/KOKKOS/pair_snap_kokkos_impl.h | 6 +++--- src/KOKKOS/pair_sw_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_table_kokkos.cpp | 6 +++--- src/KOKKOS/pair_table_rx_kokkos.cpp | 6 +++--- src/KOKKOS/pair_tersoff_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_tersoff_kokkos.h | 2 +- src/KOKKOS/pair_tersoff_mod_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_tersoff_mod_kokkos.h | 2 +- src/KOKKOS/pair_tersoff_zbl_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_tersoff_zbl_kokkos.h | 2 +- src/KOKKOS/pair_vashishta_kokkos.cpp | 8 ++++---- src/KOKKOS/pair_yukawa_kokkos.cpp | 4 ++-- src/KOKKOS/pair_zbl_kokkos.cpp | 8 ++++---- src/KOKKOS/pppm_kokkos.cpp | 10 +++++----- src/KOKKOS/region_block_kokkos.cpp | 4 ++-- src/KOKKOS/sna_kokkos_impl.h | 6 +++--- src/KOKKOS/verlet_kokkos.cpp | 2 +- src/KSPACE/ewald.cpp | 8 ++++---- src/KSPACE/ewald_disp.cpp | 8 ++++---- src/KSPACE/fft3d.cpp | 6 +++--- src/KSPACE/fix_tune_kspace.cpp | 4 ++-- src/KSPACE/fix_tune_kspace.h | 2 +- src/KSPACE/kissfft.h | 6 +++--- src/KSPACE/msm.cpp | 10 +++++----- src/KSPACE/msm_cg.cpp | 10 +++++----- src/KSPACE/pair_born_coul_long.cpp | 8 ++++---- src/KSPACE/pair_born_coul_msm.cpp | 8 ++++---- src/KSPACE/pair_buck_coul_long.cpp | 8 ++++---- src/KSPACE/pair_buck_coul_msm.cpp | 8 ++++---- src/KSPACE/pair_buck_long_coul_long.cpp | 8 ++++---- src/KSPACE/pair_coul_long.cpp | 8 ++++---- src/KSPACE/pair_coul_msm.cpp | 8 ++++---- src/KSPACE/pair_lj_charmm_coul_long.cpp | 8 ++++---- src/KSPACE/pair_lj_charmm_coul_msm.cpp | 8 ++++---- src/KSPACE/pair_lj_charmmfsw_coul_long.cpp | 8 ++++---- src/KSPACE/pair_lj_cut_coul_long.cpp | 8 ++++---- src/KSPACE/pair_lj_cut_coul_msm.cpp | 8 ++++---- src/KSPACE/pair_lj_cut_tip4p_long.cpp | 8 ++++---- src/KSPACE/pair_lj_long_coul_long.cpp | 8 ++++---- src/KSPACE/pair_lj_long_tip4p_long.cpp | 8 ++++---- src/KSPACE/pair_tip4p_long.cpp | 8 ++++---- src/KSPACE/pppm.cpp | 10 +++++----- src/KSPACE/pppm_cg.cpp | 8 ++++---- src/KSPACE/pppm_disp.cpp | 10 +++++----- src/KSPACE/pppm_disp_tip4p.cpp | 4 ++-- src/KSPACE/pppm_stagger.cpp | 10 +++++----- src/KSPACE/pppm_tip4p.cpp | 4 ++-- src/KSPACE/remap.cpp | 4 ++-- src/LATTE/fix_latte.cpp | 4 ++-- src/MANYBODY/fix_qeq_comb.cpp | 6 +++--- src/MANYBODY/fix_qeq_comb.h | 2 +- src/MANYBODY/pair_adp.cpp | 8 ++++---- src/MANYBODY/pair_airebo.cpp | 8 ++++---- src/MANYBODY/pair_airebo.h | 2 +- src/MANYBODY/pair_bop.cpp | 10 +++++----- src/MANYBODY/pair_bop.h | 2 +- src/MANYBODY/pair_comb.cpp | 8 ++++---- src/MANYBODY/pair_comb3.cpp | 8 ++++---- src/MANYBODY/pair_eam.cpp | 8 ++++---- src/MANYBODY/pair_eam.h | 2 +- src/MANYBODY/pair_eam_alloy.cpp | 6 +++--- src/MANYBODY/pair_eam_fs.cpp | 6 +++--- src/MANYBODY/pair_eim.cpp | 8 ++++---- src/MANYBODY/pair_eim.h | 2 +- src/MANYBODY/pair_gw.cpp | 8 ++++---- src/MANYBODY/pair_gw_zbl.cpp | 8 ++++---- src/MANYBODY/pair_lcbop.cpp | 8 ++++---- src/MANYBODY/pair_lcbop.h | 2 +- src/MANYBODY/pair_nb3b_harmonic.cpp | 8 ++++---- src/MANYBODY/pair_polymorphic.cpp | 8 ++++---- src/MANYBODY/pair_polymorphic.h | 2 +- src/MANYBODY/pair_sw.cpp | 8 ++++---- src/MANYBODY/pair_tersoff.cpp | 8 ++++---- src/MANYBODY/pair_tersoff_mod.cpp | 8 ++++---- src/MANYBODY/pair_tersoff_mod.h | 2 +- src/MANYBODY/pair_tersoff_mod_c.cpp | 8 ++++---- src/MANYBODY/pair_tersoff_zbl.cpp | 8 ++++---- src/MANYBODY/pair_vashishta.cpp | 8 ++++---- src/MANYBODY/pair_vashishta_table.cpp | 8 ++++---- src/MC/fix_atom_swap.cpp | 8 ++++---- src/MC/fix_atom_swap.h | 2 +- src/MC/fix_bond_break.cpp | 6 +++--- src/MC/fix_bond_create.cpp | 6 +++--- src/MC/fix_bond_swap.cpp | 6 +++--- src/MC/fix_gcmc.cpp | 6 +++--- src/MC/fix_gcmc.h | 2 +- src/MC/fix_tfmc.cpp | 6 +++--- src/MC/pair_dsmc.cpp | 10 +++++----- src/MEAM/pair_meam.cpp | 8 ++++---- src/MISC/compute_msd_nongauss.cpp | 2 +- src/MISC/compute_ti.cpp | 2 +- src/MISC/dump_xtc.cpp | 10 +++++----- src/MISC/fix_deposit.cpp | 6 +++--- src/MISC/fix_deposit.h | 2 +- src/MISC/fix_efield.cpp | 6 +++--- src/MISC/fix_evaporate.cpp | 6 +++--- src/MISC/fix_gld.cpp | 6 +++--- src/MISC/fix_oneway.cpp | 2 +- src/MISC/fix_orient_bcc.cpp | 6 +++--- src/MISC/fix_orient_fcc.cpp | 6 +++--- src/MISC/fix_thermal_conductivity.cpp | 6 +++--- src/MISC/fix_ttm.cpp | 6 +++--- src/MISC/fix_viscosity.cpp | 6 +++--- src/MISC/pair_nm_cut.cpp | 8 ++++---- src/MISC/pair_nm_cut_coul_cut.cpp | 8 ++++---- src/MISC/pair_nm_cut_coul_long.cpp | 8 ++++---- src/MISC/xdr_compat.cpp | 6 +++--- src/MISC/xdr_compat.h | 6 +++--- src/MOLECULE/angle_charmm.cpp | 4 ++-- src/MOLECULE/angle_charmm.h | 2 +- src/MOLECULE/angle_cosine.cpp | 4 ++-- src/MOLECULE/angle_cosine.h | 2 +- src/MOLECULE/angle_cosine_delta.cpp | 4 ++-- src/MOLECULE/angle_cosine_delta.h | 2 +- src/MOLECULE/angle_cosine_periodic.cpp | 4 ++-- src/MOLECULE/angle_cosine_periodic.h | 2 +- src/MOLECULE/angle_cosine_squared.cpp | 4 ++-- src/MOLECULE/angle_cosine_squared.h | 2 +- src/MOLECULE/angle_harmonic.cpp | 4 ++-- src/MOLECULE/angle_harmonic.h | 2 +- src/MOLECULE/angle_table.cpp | 10 +++++----- src/MOLECULE/angle_table.h | 2 +- src/MOLECULE/atom_vec_angle.cpp | 2 +- src/MOLECULE/atom_vec_bond.cpp | 2 +- src/MOLECULE/atom_vec_full.cpp | 2 +- src/MOLECULE/atom_vec_molecular.cpp | 2 +- src/MOLECULE/atom_vec_template.cpp | 4 ++-- src/MOLECULE/bond_fene.cpp | 4 ++-- src/MOLECULE/bond_fene.h | 2 +- src/MOLECULE/bond_fene_expand.cpp | 4 ++-- src/MOLECULE/bond_fene_expand.h | 2 +- src/MOLECULE/bond_gromos.cpp | 6 +++--- src/MOLECULE/bond_gromos.h | 2 +- src/MOLECULE/bond_harmonic.cpp | 6 +++--- src/MOLECULE/bond_harmonic.h | 2 +- src/MOLECULE/bond_morse.cpp | 4 ++-- src/MOLECULE/bond_morse.h | 2 +- src/MOLECULE/bond_nonlinear.cpp | 4 ++-- src/MOLECULE/bond_nonlinear.h | 2 +- src/MOLECULE/bond_quartic.cpp | 4 ++-- src/MOLECULE/bond_quartic.h | 2 +- src/MOLECULE/bond_table.cpp | 10 +++++----- src/MOLECULE/bond_table.h | 2 +- src/MOLECULE/dihedral_charmm.cpp | 6 +++--- src/MOLECULE/dihedral_charmm.h | 2 +- src/MOLECULE/dihedral_charmmfsw.cpp | 6 +++--- src/MOLECULE/dihedral_charmmfsw.h | 2 +- src/MOLECULE/dihedral_harmonic.cpp | 4 ++-- src/MOLECULE/dihedral_harmonic.h | 2 +- src/MOLECULE/dihedral_helix.cpp | 4 ++-- src/MOLECULE/dihedral_helix.h | 2 +- src/MOLECULE/dihedral_multi_harmonic.cpp | 4 ++-- src/MOLECULE/dihedral_multi_harmonic.h | 2 +- src/MOLECULE/dihedral_opls.cpp | 4 ++-- src/MOLECULE/dihedral_opls.h | 2 +- src/MOLECULE/fix_cmap.cpp | 8 ++++---- src/MOLECULE/improper_cvff.cpp | 4 ++-- src/MOLECULE/improper_cvff.h | 2 +- src/MOLECULE/improper_harmonic.cpp | 4 ++-- src/MOLECULE/improper_harmonic.h | 2 +- src/MOLECULE/improper_umbrella.cpp | 4 ++-- src/MOLECULE/improper_umbrella.h | 2 +- src/MOLECULE/pair_hbond_dreiding_lj.cpp | 8 ++++---- src/MOLECULE/pair_hbond_dreiding_morse.cpp | 8 ++++---- src/MOLECULE/pair_lj_charmm_coul_charmm.cpp | 8 ++++---- .../pair_lj_charmm_coul_charmm_implicit.cpp | 4 ++-- .../pair_lj_charmmfsw_coul_charmmfsh.cpp | 8 ++++---- src/MOLECULE/pair_lj_cut_tip4p_cut.cpp | 6 +++--- src/MOLECULE/pair_tip4p_cut.cpp | 4 ++-- src/MPIIO/dump_atom_mpiio.cpp | 2 +- src/MPIIO/dump_atom_mpiio.h | 2 +- src/MPIIO/dump_cfg_mpiio.cpp | 7 +++---- src/MPIIO/dump_custom_mpiio.cpp | 7 +++---- src/MPIIO/dump_xyz_mpiio.cpp | 7 +++---- src/MPIIO/restart_mpiio.cpp | 2 +- src/MSCG/fix_mscg.cpp | 4 ++-- src/OPT/pair_eam_opt.cpp | 4 ++-- src/OPT/pair_lj_charmm_coul_long_opt.cpp | 4 ++-- src/OPT/pair_lj_cut_coul_long_opt.cpp | 2 +- src/OPT/pair_lj_cut_opt.cpp | 2 +- src/OPT/pair_lj_cut_tip4p_long_opt.cpp | 2 +- src/OPT/pair_lj_long_coul_long_opt.cpp | 2 +- src/OPT/pair_morse_opt.cpp | 4 ++-- src/OPT/pair_ufm_opt.cpp | 4 ++-- src/PERI/atom_vec_peri.cpp | 6 +++--- src/PERI/compute_damage_atom.cpp | 2 +- src/PERI/compute_dilatation_atom.cpp | 2 +- src/PERI/compute_plasticity_atom.cpp | 2 +- src/PERI/fix_peri_neigh.cpp | 2 +- src/PERI/pair_peri_eps.cpp | 6 +++--- src/PERI/pair_peri_lps.cpp | 6 +++--- src/PERI/pair_peri_pmb.cpp | 8 ++++---- src/PERI/pair_peri_ves.cpp | 6 +++--- src/POEMS/fix_poems.cpp | 8 ++++---- src/PYTHON/fix_python_invoke.cpp | 4 ++-- src/PYTHON/fix_python_move.cpp | 6 +++--- src/PYTHON/pair_python.cpp | 6 +++--- src/QEQ/fix_qeq.cpp | 8 ++++---- src/QEQ/fix_qeq_dynamic.cpp | 8 ++++---- src/QEQ/fix_qeq_fire.cpp | 8 ++++---- src/QEQ/fix_qeq_point.cpp | 8 ++++---- src/QEQ/fix_qeq_shielded.cpp | 8 ++++---- src/QEQ/fix_qeq_slater.cpp | 8 ++++---- src/REAX/fix_reax_bonds.cpp | 4 ++-- src/REAX/fix_reax_bonds.h | 2 +- src/REAX/pair_reax.cpp | 8 ++++---- src/REPLICA/compute_event_displace.cpp | 6 +++--- src/REPLICA/fix_event.cpp | 4 ++-- src/REPLICA/fix_event_prd.cpp | 4 ++-- src/REPLICA/fix_event_tad.cpp | 4 ++-- src/REPLICA/fix_neb.cpp | 6 +++--- src/REPLICA/neb.cpp | 6 +++--- src/REPLICA/neb.h | 2 +- src/REPLICA/prd.cpp | 6 +++--- src/REPLICA/tad.cpp | 6 +++--- src/REPLICA/temper.cpp | 6 +++--- src/REPLICA/verlet_split.cpp | 2 +- src/RIGID/compute_erotate_rigid.cpp | 2 +- src/RIGID/compute_ke_rigid.cpp | 2 +- src/RIGID/compute_rigid_local.cpp | 4 ++-- src/RIGID/fix_ehex.cpp | 6 +++--- src/RIGID/fix_rattle.cpp | 8 ++++---- src/RIGID/fix_rigid.cpp | 8 ++++---- src/RIGID/fix_rigid_nh.cpp | 6 +++--- src/RIGID/fix_rigid_nh_small.cpp | 6 +++--- src/RIGID/fix_rigid_nph.cpp | 2 +- src/RIGID/fix_rigid_nph_small.cpp | 2 +- src/RIGID/fix_rigid_npt.cpp | 2 +- src/RIGID/fix_rigid_npt_small.cpp | 2 +- src/RIGID/fix_rigid_small.cpp | 8 ++++---- src/RIGID/fix_shake.cpp | 8 ++++---- src/SHOCK/fix_append_atoms.cpp | 6 +++--- src/SHOCK/fix_msst.cpp | 6 +++--- src/SHOCK/fix_nphug.cpp | 7 +++---- src/SHOCK/fix_wall_piston.cpp | 6 +++--- src/SNAP/compute_sna_atom.cpp | 4 ++-- src/SNAP/compute_snad_atom.cpp | 4 ++-- src/SNAP/compute_snav_atom.cpp | 4 ++-- src/SNAP/pair_snap.cpp | 6 +++--- src/SNAP/sna.cpp | 6 +++--- src/SRD/fix_srd.cpp | 6 +++--- src/SRD/fix_wall_srd.cpp | 4 ++-- src/USER-ATC/fix_atc.cpp | 4 ++-- src/USER-AWPMD/atom_vec_wavepacket.cpp | 6 +++--- src/USER-AWPMD/fix_nve_awpmd.cpp | 7 +++---- src/USER-AWPMD/pair_awpmd_cut.cpp | 8 ++++---- src/USER-CGDNA/bond_oxdna2_fene.cpp | 4 ++-- src/USER-CGDNA/bond_oxdna_fene.cpp | 4 ++-- src/USER-CGDNA/fix_nve_dot.cpp | 6 +++--- src/USER-CGDNA/fix_nve_dotc_langevin.cpp | 6 +++--- src/USER-CGDNA/mf_oxdna.h | 2 +- src/USER-CGDNA/pair_oxdna2_coaxstk.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna2_dh.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna2_excv.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna2_stk.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna_coaxstk.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna_excv.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna_hbond.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna_stk.cpp | 8 ++++---- src/USER-CGDNA/pair_oxdna_xstk.cpp | 8 ++++---- src/USER-CGSDK/angle_sdk.cpp | 4 ++-- src/USER-CGSDK/angle_sdk.h | 2 +- src/USER-CGSDK/lj_sdk_common.h | 2 +- src/USER-CGSDK/pair_lj_sdk.cpp | 8 ++++---- src/USER-CGSDK/pair_lj_sdk_coul_long.cpp | 8 ++++---- src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp | 8 ++++---- src/USER-COLVARS/fix_colvars.cpp | 8 ++++---- src/USER-COLVARS/group_ndx.cpp | 4 ++-- src/USER-COLVARS/ndx_group.cpp | 6 +++--- src/USER-DIFFRACTION/compute_saed.cpp | 8 ++++---- src/USER-DIFFRACTION/compute_xrd.cpp | 8 ++++---- src/USER-DIFFRACTION/fix_saed_vtk.cpp | 6 +++--- src/USER-DIFFRACTION/fix_saed_vtk.h | 2 +- src/USER-DPD/atom_vec_dpd.cpp | 2 +- src/USER-DPD/compute_dpd_atom.cpp | 6 +++--- src/USER-DPD/fix_dpd_energy.cpp | 4 ++-- src/USER-DPD/fix_eos_cv.cpp | 4 ++-- src/USER-DPD/fix_eos_table.cpp | 4 ++-- src/USER-DPD/fix_eos_table_rx.cpp | 10 +++++----- src/USER-DPD/fix_rx.cpp | 11 +++++------ src/USER-DPD/fix_shardlow.cpp | 8 ++++---- src/USER-DPD/fix_shardlow.h | 1 - src/USER-DPD/nbin_ssa.h | 4 ++-- src/USER-DPD/pair_dpd_fdt.cpp | 8 ++++---- src/USER-DPD/pair_dpd_fdt_energy.cpp | 8 ++++---- src/USER-DPD/pair_exp6_rx.cpp | 10 +++++----- src/USER-DPD/pair_multi_lucy.cpp | 6 +++--- src/USER-DPD/pair_multi_lucy_rx.cpp | 6 +++--- src/USER-DPD/pair_table_rx.cpp | 6 +++--- src/USER-DPD/random_external_state.h | 2 +- src/USER-DRUDE/compute_temp_drude.cpp | 4 ++-- src/USER-DRUDE/fix_drude.cpp | 4 ++-- src/USER-DRUDE/fix_drude_transform.cpp | 5 ++--- src/USER-DRUDE/fix_langevin_drude.cpp | 6 +++--- src/USER-DRUDE/pair_lj_cut_thole_long.cpp | 8 ++++---- src/USER-DRUDE/pair_thole.cpp | 8 ++++---- src/USER-EFF/atom_vec_electron.cpp | 6 +++--- src/USER-EFF/compute_ke_atom_eff.cpp | 6 +++--- src/USER-EFF/compute_ke_eff.cpp | 4 ++-- src/USER-EFF/compute_temp_deform_eff.cpp | 6 +++--- src/USER-EFF/compute_temp_eff.cpp | 6 +++--- src/USER-EFF/compute_temp_region_eff.cpp | 6 +++--- src/USER-EFF/fix_langevin_eff.cpp | 6 +++--- src/USER-EFF/fix_nh_eff.cpp | 4 ++-- src/USER-EFF/fix_nph_eff.cpp | 2 +- src/USER-EFF/fix_npt_eff.cpp | 2 +- src/USER-EFF/fix_nve_eff.cpp | 9 ++++----- src/USER-EFF/fix_nvt_eff.cpp | 4 ++-- src/USER-EFF/fix_nvt_sllod_eff.cpp | 4 ++-- src/USER-EFF/fix_temp_rescale_eff.cpp | 6 +++--- src/USER-EFF/pair_eff_cut.cpp | 8 ++++---- src/USER-FEP/compute_fep.cpp | 6 +++--- src/USER-FEP/fix_adapt_fep.cpp | 6 +++--- src/USER-FEP/pair_coul_cut_soft.cpp | 8 ++++---- src/USER-FEP/pair_coul_long_soft.cpp | 8 ++++---- .../pair_lj_charmm_coul_long_soft.cpp | 8 ++++---- src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp | 8 ++++---- src/USER-FEP/pair_lj_cut_coul_long_soft.cpp | 8 ++++---- src/USER-FEP/pair_lj_cut_soft.cpp | 8 ++++---- src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp | 8 ++++---- src/USER-FEP/pair_morse_soft.cpp | 8 ++++---- src/USER-FEP/pair_tip4p_long_soft.cpp | 8 ++++---- src/USER-H5MD/dump_h5md.cpp | 10 +++++----- src/USER-INTEL/angle_charmm_intel.cpp | 4 ++-- src/USER-INTEL/angle_charmm_intel.h | 2 +- src/USER-INTEL/angle_harmonic_intel.cpp | 4 ++-- src/USER-INTEL/angle_harmonic_intel.h | 2 +- src/USER-INTEL/bond_fene_intel.cpp | 4 ++-- src/USER-INTEL/bond_fene_intel.h | 2 +- src/USER-INTEL/bond_harmonic_intel.cpp | 4 ++-- src/USER-INTEL/bond_harmonic_intel.h | 2 +- src/USER-INTEL/dihedral_charmm_intel.cpp | 2 +- src/USER-INTEL/dihedral_fourier_intel.cpp | 2 +- src/USER-INTEL/dihedral_harmonic_intel.cpp | 2 +- src/USER-INTEL/dihedral_opls_intel.cpp | 2 +- src/USER-INTEL/fix_intel.cpp | 8 ++++---- src/USER-INTEL/fix_nh_intel.cpp | 4 ++-- src/USER-INTEL/fix_npt_intel.cpp | 2 +- src/USER-INTEL/fix_nve_asphere_intel.cpp | 6 +++--- src/USER-INTEL/fix_nvt_intel.cpp | 2 +- src/USER-INTEL/fix_nvt_sllod_intel.cpp | 4 ++-- src/USER-INTEL/improper_cvff_intel.cpp | 4 ++-- src/USER-INTEL/improper_cvff_intel.h | 2 +- src/USER-INTEL/improper_harmonic_intel.cpp | 4 ++-- src/USER-INTEL/improper_harmonic_intel.h | 2 +- src/USER-INTEL/intel_buffers.cpp | 2 +- src/USER-INTEL/intel_intrinsics_airebo.h | 2 +- src/USER-INTEL/intel_simd.h | 2 +- src/USER-INTEL/pair_airebo_intel.cpp | 14 +++++++------- src/USER-INTEL/pair_buck_coul_cut_intel.cpp | 8 ++++---- src/USER-INTEL/pair_buck_coul_long_intel.cpp | 8 ++++---- src/USER-INTEL/pair_buck_intel.cpp | 2 +- src/USER-INTEL/pair_dpd_intel.cpp | 2 +- src/USER-INTEL/pair_eam_alloy_intel.cpp | 6 +++--- src/USER-INTEL/pair_eam_fs_intel.cpp | 6 +++--- src/USER-INTEL/pair_eam_intel.cpp | 8 ++++---- src/USER-INTEL/pair_eam_intel.h | 2 +- .../pair_lj_charmm_coul_charmm_intel.cpp | 2 +- .../pair_lj_charmm_coul_long_intel.cpp | 2 +- .../pair_lj_cut_coul_long_intel.cpp | 2 +- src/USER-INTEL/pair_lj_cut_intel.cpp | 2 +- .../pair_lj_long_coul_long_intel.cpp | 2 +- src/USER-INTEL/pair_sw_intel.cpp | 6 +++--- src/USER-INTEL/pair_tersoff_intel.cpp | 8 ++++---- src/USER-INTEL/pppm_disp_intel.cpp | 6 +++--- src/USER-INTEL/pppm_intel.cpp | 6 +++--- src/USER-INTEL/verlet_lrt_intel.cpp | 2 +- src/USER-LB/fix_lb_fluid.cpp | 8 ++++---- src/USER-LB/fix_lb_momentum.cpp | 4 ++-- src/USER-LB/fix_lb_pc.cpp | 6 +++--- src/USER-LB/fix_lb_rigid_pc_sphere.cpp | 8 ++++---- src/USER-LB/fix_lb_viscous.cpp | 6 +++--- src/USER-MANIFOLD/fix_manifoldforce.cpp | 6 +++--- src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp | 8 ++++---- src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp | 8 ++++---- src/USER-MANIFOLD/manifold.h | 2 +- src/USER-MANIFOLD/manifold_cylinder_dent.cpp | 2 +- src/USER-MANIFOLD/manifold_dumbbell.cpp | 2 +- src/USER-MANIFOLD/manifold_factory.h | 2 +- src/USER-MANIFOLD/manifold_plane_wiggle.cpp | 2 +- src/USER-MANIFOLD/manifold_spine.cpp | 2 +- src/USER-MANIFOLD/manifold_thylakoid.cpp | 6 +++--- src/USER-MANIFOLD/manifold_thylakoid.h | 2 +- .../manifold_thylakoid_shared.cpp | 2 +- src/USER-MANIFOLD/manifold_torus.cpp | 2 +- src/USER-MEAMC/meam.h | 4 ++-- src/USER-MEAMC/meam_funcs.cpp | 2 +- src/USER-MEAMC/meam_setup_global.cpp | 2 +- src/USER-MEAMC/pair_meamc.cpp | 8 ++++---- src/USER-MESO/atom_vec_edpd.cpp | 4 ++-- src/USER-MESO/atom_vec_mdpd.cpp | 4 ++-- src/USER-MESO/atom_vec_tdpd.cpp | 4 ++-- src/USER-MESO/compute_edpd_temp_atom.cpp | 2 +- src/USER-MESO/compute_tdpd_cc_atom.cpp | 2 +- src/USER-MESO/fix_edpd_source.cpp | 4 ++-- src/USER-MESO/fix_mvv_dpd.cpp | 4 ++-- src/USER-MESO/fix_mvv_edpd.cpp | 4 ++-- src/USER-MESO/fix_mvv_tdpd.cpp | 4 ++-- src/USER-MESO/fix_tdpd_source.cpp | 4 ++-- src/USER-MESO/pair_edpd.cpp | 10 +++++----- src/USER-MESO/pair_mdpd.cpp | 8 ++++---- src/USER-MESO/pair_mdpd_rhosum.cpp | 4 ++-- src/USER-MESO/pair_tdpd.cpp | 8 ++++---- src/USER-MISC/angle_cosine_shift.cpp | 4 ++-- src/USER-MISC/angle_cosine_shift.h | 2 +- src/USER-MISC/angle_cosine_shift_exp.cpp | 4 ++-- src/USER-MISC/angle_cosine_shift_exp.h | 2 +- src/USER-MISC/angle_dipole.cpp | 4 ++-- src/USER-MISC/angle_dipole.h | 2 +- src/USER-MISC/angle_fourier.cpp | 4 ++-- src/USER-MISC/angle_fourier.h | 2 +- src/USER-MISC/angle_fourier_simple.cpp | 4 ++-- src/USER-MISC/angle_fourier_simple.h | 2 +- src/USER-MISC/angle_quartic.cpp | 4 ++-- src/USER-MISC/angle_quartic.h | 2 +- src/USER-MISC/bond_harmonic_shift.cpp | 4 ++-- src/USER-MISC/bond_harmonic_shift.h | 2 +- src/USER-MISC/bond_harmonic_shift_cut.cpp | 4 ++-- src/USER-MISC/bond_harmonic_shift_cut.h | 2 +- src/USER-MISC/compute_ackland_atom.cpp | 4 ++-- src/USER-MISC/compute_basal_atom.cpp | 4 ++-- src/USER-MISC/compute_cnp_atom.cpp | 6 +++--- src/USER-MISC/compute_pressure_grem.cpp | 4 ++-- src/USER-MISC/compute_temp_rotate.cpp | 4 ++-- src/USER-MISC/dihedral_cosine_shift_exp.cpp | 4 ++-- src/USER-MISC/dihedral_cosine_shift_exp.h | 2 +- src/USER-MISC/dihedral_fourier.cpp | 4 ++-- src/USER-MISC/dihedral_fourier.h | 2 +- src/USER-MISC/dihedral_nharmonic.cpp | 4 ++-- src/USER-MISC/dihedral_nharmonic.h | 2 +- src/USER-MISC/dihedral_quadratic.cpp | 4 ++-- src/USER-MISC/dihedral_quadratic.h | 2 +- src/USER-MISC/dihedral_spherical.h | 2 +- src/USER-MISC/fix_addtorque.cpp | 4 ++-- src/USER-MISC/fix_ave_correlate_long.cpp | 6 +++--- src/USER-MISC/fix_ave_correlate_long.h | 2 +- src/USER-MISC/fix_filter_corotate.cpp | 4 ++-- src/USER-MISC/fix_flow_gauss.cpp | 4 ++-- src/USER-MISC/fix_gle.cpp | 6 +++--- src/USER-MISC/fix_grem.cpp | 6 +++--- src/USER-MISC/fix_imd.cpp | 10 +++++----- src/USER-MISC/fix_ipi.cpp | 8 ++++---- src/USER-MISC/fix_nvk.cpp | 6 +++--- src/USER-MISC/fix_pimd.cpp | 6 +++--- src/USER-MISC/fix_rhok.cpp | 8 ++++---- src/USER-MISC/fix_smd.cpp | 6 +++--- src/USER-MISC/fix_srp.cpp | 4 ++-- src/USER-MISC/fix_srp.h | 2 +- src/USER-MISC/fix_ti_spring.cpp | 4 ++-- src/USER-MISC/fix_ttm_mod.cpp | 6 +++--- src/USER-MISC/fix_wall_ees.cpp | 2 +- src/USER-MISC/fix_wall_region_ees.cpp | 6 +++--- src/USER-MISC/improper_cossq.cpp | 4 ++-- src/USER-MISC/improper_cossq.h | 2 +- src/USER-MISC/improper_distance.cpp | 4 ++-- src/USER-MISC/improper_distance.h | 2 +- src/USER-MISC/improper_fourier.cpp | 6 +++--- src/USER-MISC/improper_fourier.h | 2 +- src/USER-MISC/improper_ring.cpp | 4 ++-- src/USER-MISC/improper_ring.h | 2 +- src/USER-MISC/pair_agni.cpp | 8 ++++---- src/USER-MISC/pair_buck_mdf.cpp | 8 ++++---- src/USER-MISC/pair_cdeam.cpp | 8 ++++---- src/USER-MISC/pair_coul_diel.cpp | 8 ++++---- src/USER-MISC/pair_coul_shield.cpp | 8 ++++---- src/USER-MISC/pair_edip.cpp | 10 +++++----- src/USER-MISC/pair_edip_multi.cpp | 10 +++++----- src/USER-MISC/pair_extep.cpp | 8 ++++---- src/USER-MISC/pair_gauss_cut.cpp | 8 ++++---- src/USER-MISC/pair_ilp_graphene_hbn.cpp | 8 ++++---- src/USER-MISC/pair_ilp_graphene_hbn.h | 2 +- src/USER-MISC/pair_kolmogorov_crespi_full.cpp | 8 ++++---- src/USER-MISC/pair_kolmogorov_crespi_full.h | 2 +- src/USER-MISC/pair_kolmogorov_crespi_z.cpp | 8 ++++---- src/USER-MISC/pair_lennard_mdf.cpp | 8 ++++---- src/USER-MISC/pair_list.cpp | 8 ++++---- src/USER-MISC/pair_lj_mdf.cpp | 8 ++++---- src/USER-MISC/pair_lj_sf_dipole_sf.cpp | 6 +++--- src/USER-MISC/pair_meam_spline.cpp | 8 ++++---- src/USER-MISC/pair_meam_sw_spline.cpp | 8 ++++---- src/USER-MISC/pair_momb.cpp | 6 +++--- src/USER-MISC/pair_morse_smooth_linear.cpp | 8 ++++---- src/USER-MISC/pair_srp.cpp | 4 ++-- src/USER-MISC/pair_tersoff_table.cpp | 8 ++++---- src/USER-MISC/temper_grem.cpp | 6 +++--- src/USER-MISC/temper_npt.cpp | 6 +++--- src/USER-MOFFF/angle_class2_p6.cpp | 6 +++--- src/USER-MOFFF/angle_class2_p6.h | 2 +- src/USER-MOFFF/angle_cosine_buck6d.cpp | 4 ++-- src/USER-MOFFF/angle_cosine_buck6d.h | 2 +- .../improper_inversion_harmonic.cpp | 6 +++--- src/USER-MOFFF/improper_inversion_harmonic.h | 2 +- src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp | 8 ++++---- .../pair_buck6d_coul_gauss_long.cpp | 8 ++++---- src/USER-MOLFILE/dump_molfile.cpp | 6 +++--- src/USER-MOLFILE/molfile_interface.cpp | 8 ++++---- src/USER-MOLFILE/reader_molfile.cpp | 6 +++--- src/USER-NETCDF/dump_netcdf.cpp | 4 ++-- src/USER-NETCDF/dump_netcdf_mpiio.cpp | 4 ++-- src/USER-OMP/angle_charmm_omp.cpp | 2 +- src/USER-OMP/angle_class2_omp.cpp | 2 +- src/USER-OMP/angle_cosine_delta_omp.cpp | 2 +- src/USER-OMP/angle_cosine_omp.cpp | 2 +- src/USER-OMP/angle_cosine_periodic_omp.cpp | 2 +- src/USER-OMP/angle_cosine_shift_exp_omp.cpp | 2 +- src/USER-OMP/angle_cosine_shift_omp.cpp | 2 +- src/USER-OMP/angle_cosine_squared_omp.cpp | 2 +- src/USER-OMP/angle_dipole_omp.cpp | 2 +- src/USER-OMP/angle_fourier_omp.cpp | 2 +- src/USER-OMP/angle_fourier_simple_omp.cpp | 2 +- src/USER-OMP/angle_harmonic_omp.cpp | 2 +- src/USER-OMP/angle_quartic_omp.cpp | 2 +- src/USER-OMP/angle_sdk_omp.cpp | 2 +- src/USER-OMP/angle_table_omp.cpp | 2 +- src/USER-OMP/bond_class2_omp.cpp | 2 +- src/USER-OMP/bond_fene_expand_omp.cpp | 2 +- src/USER-OMP/bond_fene_omp.cpp | 2 +- src/USER-OMP/bond_gromos_omp.cpp | 2 +- src/USER-OMP/bond_harmonic_omp.cpp | 2 +- src/USER-OMP/bond_harmonic_shift_cut_omp.cpp | 2 +- src/USER-OMP/bond_harmonic_shift_omp.cpp | 2 +- src/USER-OMP/bond_morse_omp.cpp | 2 +- src/USER-OMP/bond_nonlinear_omp.cpp | 2 +- src/USER-OMP/bond_quartic_omp.cpp | 2 +- src/USER-OMP/bond_table_omp.cpp | 2 +- src/USER-OMP/dihedral_charmm_omp.cpp | 2 +- src/USER-OMP/dihedral_class2_omp.cpp | 2 +- .../dihedral_cosine_shift_exp_omp.cpp | 2 +- src/USER-OMP/dihedral_fourier_omp.cpp | 2 +- src/USER-OMP/dihedral_harmonic_omp.cpp | 2 +- src/USER-OMP/dihedral_helix_omp.cpp | 2 +- src/USER-OMP/dihedral_multi_harmonic_omp.cpp | 2 +- src/USER-OMP/dihedral_nharmonic_omp.cpp | 2 +- src/USER-OMP/dihedral_opls_omp.cpp | 2 +- src/USER-OMP/dihedral_quadratic_omp.cpp | 2 +- src/USER-OMP/ewald_omp.cpp | 2 +- src/USER-OMP/fix_gravity_omp.cpp | 8 ++++---- src/USER-OMP/fix_neigh_history_omp.cpp | 4 ++-- src/USER-OMP/fix_nh_asphere_omp.cpp | 6 +++--- src/USER-OMP/fix_nh_omp.cpp | 4 ++-- src/USER-OMP/fix_nh_sphere_omp.cpp | 2 +- src/USER-OMP/fix_nph_asphere_omp.cpp | 2 +- src/USER-OMP/fix_nph_omp.cpp | 2 +- src/USER-OMP/fix_nph_sphere_omp.cpp | 2 +- src/USER-OMP/fix_nphug_omp.cpp | 7 +++---- src/USER-OMP/fix_npt_asphere_omp.cpp | 2 +- src/USER-OMP/fix_npt_omp.cpp | 2 +- src/USER-OMP/fix_npt_sphere_omp.cpp | 2 +- src/USER-OMP/fix_nve_sphere_omp.cpp | 6 +++--- src/USER-OMP/fix_nvt_asphere_omp.cpp | 2 +- src/USER-OMP/fix_nvt_omp.cpp | 2 +- src/USER-OMP/fix_nvt_sllod_omp.cpp | 4 ++-- src/USER-OMP/fix_nvt_sphere_omp.cpp | 2 +- src/USER-OMP/fix_omp.cpp | 6 +++--- src/USER-OMP/fix_qeq_comb_omp.cpp | 5 ++--- src/USER-OMP/fix_qeq_reax_omp.cpp | 8 ++++---- src/USER-OMP/fix_rigid_nh_omp.cpp | 2 +- src/USER-OMP/fix_rigid_nph_omp.cpp | 2 +- src/USER-OMP/fix_rigid_npt_omp.cpp | 2 +- src/USER-OMP/fix_rigid_omp.cpp | 2 +- src/USER-OMP/fix_rigid_small_omp.cpp | 2 +- src/USER-OMP/fix_wall_gran_omp.cpp | 2 +- src/USER-OMP/improper_class2_omp.cpp | 2 +- src/USER-OMP/improper_cossq_omp.cpp | 2 +- src/USER-OMP/improper_cvff_omp.cpp | 2 +- src/USER-OMP/improper_fourier_omp.cpp | 2 +- src/USER-OMP/improper_harmonic_omp.cpp | 2 +- src/USER-OMP/improper_ring_omp.cpp | 2 +- src/USER-OMP/improper_umbrella_omp.cpp | 2 +- src/USER-OMP/msm_cg_omp.cpp | 10 +++++----- src/USER-OMP/msm_omp.cpp | 2 +- .../npair_half_size_bin_newtoff_omp.cpp | 2 +- .../npair_half_size_bin_newton_omp.cpp | 2 +- .../npair_half_size_nsq_newtoff_omp.cpp | 2 +- .../npair_half_size_nsq_newton_omp.cpp | 2 +- src/USER-OMP/pair_adp_omp.cpp | 4 ++-- src/USER-OMP/pair_agni_omp.cpp | 6 +++--- src/USER-OMP/pair_airebo_omp.cpp | 2 +- src/USER-OMP/pair_beck_omp.cpp | 2 +- src/USER-OMP/pair_born_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_born_coul_msm_omp.cpp | 2 +- src/USER-OMP/pair_born_coul_wolf_omp.cpp | 2 +- src/USER-OMP/pair_born_omp.cpp | 2 +- src/USER-OMP/pair_brownian_omp.cpp | 2 +- src/USER-OMP/pair_brownian_poly_omp.cpp | 2 +- src/USER-OMP/pair_buck_coul_cut_omp.cpp | 2 +- src/USER-OMP/pair_buck_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_buck_coul_msm_omp.cpp | 2 +- src/USER-OMP/pair_buck_long_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_buck_omp.cpp | 2 +- src/USER-OMP/pair_cdeam_omp.cpp | 4 ++-- src/USER-OMP/pair_colloid_omp.cpp | 2 +- src/USER-OMP/pair_comb_omp.cpp | 2 +- src/USER-OMP/pair_coul_cut_omp.cpp | 2 +- src/USER-OMP/pair_coul_cut_soft_omp.cpp | 2 +- src/USER-OMP/pair_coul_debye_omp.cpp | 2 +- src/USER-OMP/pair_coul_diel_omp.cpp | 2 +- src/USER-OMP/pair_coul_dsf_omp.cpp | 2 +- src/USER-OMP/pair_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_coul_long_soft_omp.cpp | 2 +- src/USER-OMP/pair_coul_msm_omp.cpp | 2 +- src/USER-OMP/pair_coul_wolf_omp.cpp | 2 +- src/USER-OMP/pair_dpd_omp.cpp | 2 +- src/USER-OMP/pair_dpd_tstat_omp.cpp | 2 +- src/USER-OMP/pair_eam_alloy_omp.cpp | 6 +++--- src/USER-OMP/pair_eam_fs_omp.cpp | 6 +++--- src/USER-OMP/pair_eam_omp.cpp | 4 ++-- src/USER-OMP/pair_edip_omp.cpp | 2 +- src/USER-OMP/pair_eim_omp.cpp | 4 ++-- src/USER-OMP/pair_gauss_cut_omp.cpp | 2 +- src/USER-OMP/pair_gauss_omp.cpp | 2 +- src/USER-OMP/pair_gayberne_omp.cpp | 2 +- src/USER-OMP/pair_gran_hertz_history_omp.cpp | 2 +- src/USER-OMP/pair_gran_hooke_history_omp.cpp | 5 ++--- src/USER-OMP/pair_gran_hooke_omp.cpp | 2 +- src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp | 2 +- .../pair_hbond_dreiding_morse_omp.cpp | 2 +- src/USER-OMP/pair_lj96_cut_omp.cpp | 2 +- ...air_lj_charmm_coul_charmm_implicit_omp.cpp | 2 +- .../pair_lj_charmm_coul_charmm_omp.cpp | 2 +- src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp | 2 +- .../pair_lj_charmm_coul_long_soft_omp.cpp | 2 +- src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp | 2 +- src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp | 2 +- src/USER-OMP/pair_lj_class2_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_lj_class2_omp.cpp | 2 +- src/USER-OMP/pair_lj_cubic_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp | 2 +- .../pair_lj_cut_coul_cut_soft_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_coul_long_omp.cpp | 2 +- .../pair_lj_cut_coul_long_soft_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_soft_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_thole_long_omp.cpp | 8 ++++---- src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp | 2 +- src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp | 2 +- .../pair_lj_cut_tip4p_long_soft_omp.cpp | 2 +- src/USER-OMP/pair_lj_expand_omp.cpp | 2 +- .../pair_lj_gromacs_coul_gromacs_omp.cpp | 2 +- src/USER-OMP/pair_lj_gromacs_omp.cpp | 2 +- src/USER-OMP/pair_lj_long_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp | 2 +- src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp | 2 +- src/USER-OMP/pair_lj_sdk_omp.cpp | 2 +- src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp | 2 +- src/USER-OMP/pair_lj_smooth_linear_omp.cpp | 2 +- src/USER-OMP/pair_lj_smooth_omp.cpp | 2 +- src/USER-OMP/pair_lubricate_omp.cpp | 2 +- src/USER-OMP/pair_lubricate_poly_omp.cpp | 2 +- src/USER-OMP/pair_meam_spline_omp.cpp | 4 ++-- src/USER-OMP/pair_morse_omp.cpp | 2 +- src/USER-OMP/pair_morse_smooth_linear_omp.cpp | 2 +- src/USER-OMP/pair_nb3b_harmonic_omp.cpp | 2 +- src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp | 2 +- src/USER-OMP/pair_nm_cut_coul_long_omp.cpp | 2 +- src/USER-OMP/pair_nm_cut_omp.cpp | 2 +- src/USER-OMP/pair_peri_lps_omp.cpp | 4 ++-- src/USER-OMP/pair_peri_pmb_omp.cpp | 4 ++-- src/USER-OMP/pair_resquared_omp.cpp | 2 +- src/USER-OMP/pair_soft_omp.cpp | 2 +- src/USER-OMP/pair_sw_omp.cpp | 2 +- src/USER-OMP/pair_table_omp.cpp | 2 +- src/USER-OMP/pair_tersoff_mod_c_omp.cpp | 2 +- src/USER-OMP/pair_tersoff_mod_omp.cpp | 2 +- src/USER-OMP/pair_tersoff_omp.cpp | 2 +- src/USER-OMP/pair_tersoff_table_omp.cpp | 2 +- src/USER-OMP/pair_tersoff_zbl_omp.cpp | 8 ++++---- src/USER-OMP/pair_tip4p_cut_omp.cpp | 2 +- src/USER-OMP/pair_tip4p_long_omp.cpp | 2 +- src/USER-OMP/pair_tip4p_long_soft_omp.cpp | 2 +- src/USER-OMP/pair_ufm_omp.cpp | 2 +- src/USER-OMP/pair_vashishta_omp.cpp | 2 +- src/USER-OMP/pair_vashishta_table_omp.cpp | 2 +- src/USER-OMP/pair_yukawa_colloid_omp.cpp | 2 +- src/USER-OMP/pair_yukawa_omp.cpp | 2 +- src/USER-OMP/pair_zbl_omp.cpp | 2 +- src/USER-OMP/pppm_cg_omp.cpp | 5 ++--- src/USER-OMP/pppm_disp_omp.cpp | 7 +++---- src/USER-OMP/pppm_disp_tip4p_omp.cpp | 7 +++---- src/USER-OMP/pppm_omp.cpp | 5 ++--- src/USER-OMP/pppm_tip4p_omp.cpp | 7 +++---- src/USER-OMP/respa_omp.cpp | 4 ++-- src/USER-OMP/thr_data.cpp | 6 +++--- src/USER-OMP/thr_omp.cpp | 4 ++-- src/USER-PHONON/fix_phonon.cpp | 6 +++--- src/USER-QMMM/fix_qmmm.cpp | 5 ++--- src/USER-QTB/fix_qbmsst.cpp | 6 +++--- src/USER-QTB/fix_qtb.cpp | 6 +++--- src/USER-QUIP/pair_quip.cpp | 8 ++++---- src/USER-REAXC/compute_spec_atom.cpp | 4 ++-- src/USER-REAXC/fix_qeq_reax.cpp | 8 ++++---- src/USER-REAXC/fix_reaxc_bonds.cpp | 4 ++-- src/USER-REAXC/fix_reaxc_bonds.h | 2 +- src/USER-REAXC/fix_reaxc_species.cpp | 8 ++++---- src/USER-REAXC/reaxc_types.h | 18 +++++++++--------- src/USER-SMD/atom_vec_smd.cpp | 6 +++--- src/USER-SMD/compute_smd_contact_radius.cpp | 2 +- src/USER-SMD/compute_smd_damage.cpp | 2 +- src/USER-SMD/compute_smd_hourglass_error.cpp | 2 +- src/USER-SMD/compute_smd_internal_energy.cpp | 2 +- src/USER-SMD/compute_smd_plastic_strain.cpp | 2 +- .../compute_smd_plastic_strain_rate.cpp | 2 +- src/USER-SMD/compute_smd_rho.cpp | 2 +- src/USER-SMD/compute_smd_tlsph_defgrad.cpp | 11 +++++------ src/USER-SMD/compute_smd_tlsph_dt.cpp | 2 +- src/USER-SMD/compute_smd_tlsph_num_neighs.cpp | 2 +- src/USER-SMD/compute_smd_tlsph_shape.cpp | 14 +++++++------- src/USER-SMD/compute_smd_tlsph_strain.cpp | 12 ++++++------ .../compute_smd_tlsph_strain_rate.cpp | 5 +++-- src/USER-SMD/compute_smd_tlsph_stress.cpp | 5 +++-- .../compute_smd_triangle_mesh_vertices.cpp | 12 ++++++------ src/USER-SMD/compute_smd_ulsph_effm.cpp | 2 +- src/USER-SMD/compute_smd_ulsph_num_neighs.cpp | 2 +- src/USER-SMD/compute_smd_ulsph_strain.cpp | 12 ++++++------ .../compute_smd_ulsph_strain_rate.cpp | 5 +++-- src/USER-SMD/compute_smd_ulsph_stress.cpp | 5 +++-- src/USER-SMD/compute_smd_vol.cpp | 2 +- src/USER-SMD/fix_smd_adjust_dt.cpp | 6 +++--- src/USER-SMD/fix_smd_integrate_tlsph.cpp | 11 +++++------ src/USER-SMD/fix_smd_integrate_ulsph.cpp | 11 +++++------ .../fix_smd_move_triangulated_surface.cpp | 11 +++++------ src/USER-SMD/fix_smd_setvel.cpp | 4 ++-- .../fix_smd_tlsph_reference_configuration.cpp | 8 ++++---- src/USER-SMD/fix_smd_wall_surface.cpp | 8 ++++---- src/USER-SMD/pair_smd_hertz.cpp | 8 ++++---- src/USER-SMD/pair_smd_tlsph.cpp | 19 ++++++++++--------- .../pair_smd_triangulated_surface.cpp | 14 +++++++------- src/USER-SMD/pair_smd_ulsph.cpp | 12 ++++++------ src/USER-SMD/smd_material_models.cpp | 2 +- src/USER-SMTBQ/pair_smtbq.cpp | 8 ++++---- src/USER-SPH/atom_vec_meso.cpp | 4 ++-- src/USER-SPH/compute_meso_e_atom.cpp | 2 +- src/USER-SPH/compute_meso_rho_atom.cpp | 2 +- src/USER-SPH/compute_meso_t_atom.cpp | 2 +- src/USER-SPH/fix_meso.cpp | 9 ++++----- src/USER-SPH/fix_meso_stationary.cpp | 9 ++++----- src/USER-SPH/pair_sph_heatconduction.cpp | 4 ++-- src/USER-SPH/pair_sph_idealgas.cpp | 4 ++-- src/USER-SPH/pair_sph_lj.cpp | 4 ++-- src/USER-SPH/pair_sph_rhosum.cpp | 4 ++-- src/USER-SPH/pair_sph_taitwater.cpp | 4 ++-- src/USER-SPH/pair_sph_taitwater_morris.cpp | 4 ++-- src/USER-TALLY/compute_force_tally.cpp | 4 ++-- src/USER-TALLY/compute_heat_flux_tally.cpp | 2 +- src/USER-TALLY/compute_pe_mol_tally.cpp | 2 +- src/USER-TALLY/compute_pe_tally.cpp | 2 +- src/USER-TALLY/compute_stress_tally.cpp | 2 +- src/USER-UEF/compute_pressure_uef.cpp | 4 ++-- src/USER-UEF/compute_temp_uef.cpp | 4 ++-- src/USER-UEF/dump_cfg_uef.cpp | 6 +++--- src/USER-UEF/fix_nh_uef.cpp | 6 +++--- src/USER-UEF/uef_utils.cpp | 2 +- src/USER-VTK/dump_vtk.cpp | 6 +++--- src/VORONOI/compute_voronoi_atom.cpp | 6 +++--- src/angle.cpp | 2 +- src/angle.h | 2 +- src/angle_hybrid.cpp | 6 +++--- src/angle_hybrid.h | 2 +- src/angle_zero.cpp | 6 +++--- src/angle_zero.h | 2 +- src/atom.cpp | 10 +++++----- src/atom_map.cpp | 2 +- src/atom_vec.cpp | 4 ++-- src/atom_vec.h | 2 +- src/atom_vec_atomic.cpp | 2 +- src/atom_vec_body.cpp | 6 +++--- src/atom_vec_charge.cpp | 2 +- src/atom_vec_ellipsoid.cpp | 2 +- src/atom_vec_hybrid.cpp | 4 ++-- src/atom_vec_hybrid.h | 2 +- src/atom_vec_line.cpp | 6 +++--- src/atom_vec_sphere.cpp | 6 +++--- src/atom_vec_tri.cpp | 6 +++--- src/balance.cpp | 6 +++--- src/balance.h | 2 +- src/body.cpp | 6 +++--- src/bond.cpp | 2 +- src/bond.h | 2 +- src/bond_hybrid.cpp | 6 +++--- src/bond_hybrid.h | 2 +- src/bond_zero.cpp | 6 +++--- src/bond_zero.h | 2 +- src/change_box.cpp | 6 +++--- src/citeme.h | 2 +- src/comm.cpp | 4 ++-- src/comm_brick.cpp | 8 ++++---- src/comm_tiled.cpp | 2 +- src/compute.cpp | 6 +++--- src/compute_aggregate_atom.cpp | 4 ++-- src/compute_angle.cpp | 2 +- src/compute_angle_local.cpp | 4 ++-- src/compute_angmom_chunk.cpp | 2 +- src/compute_bond.cpp | 2 +- src/compute_bond_local.cpp | 4 ++-- src/compute_centro_atom.cpp | 4 ++-- src/compute_chunk_atom.cpp | 4 ++-- src/compute_cluster_atom.cpp | 6 +++--- src/compute_cna_atom.cpp | 6 +++--- src/compute_com_chunk.cpp | 2 +- src/compute_contact_atom.cpp | 6 +++--- src/compute_coord_atom.cpp | 6 +++--- src/compute_dihedral.cpp | 2 +- src/compute_dihedral_local.cpp | 4 ++-- src/compute_dipole_chunk.cpp | 2 +- src/compute_displace_atom.cpp | 4 ++-- src/compute_erotate_sphere_atom.cpp | 2 +- src/compute_fragment_atom.cpp | 2 +- src/compute_global_atom.cpp | 4 ++-- src/compute_group_group.cpp | 4 ++-- src/compute_gyration.cpp | 2 +- src/compute_gyration_chunk.cpp | 4 ++-- src/compute_heat_flux.cpp | 4 ++-- src/compute_hexorder_atom.cpp | 4 ++-- src/compute_improper.cpp | 2 +- src/compute_improper_local.cpp | 4 ++-- src/compute_inertia_chunk.cpp | 2 +- src/compute_ke_atom.cpp | 2 +- src/compute_msd.cpp | 2 +- src/compute_msd_chunk.cpp | 2 +- src/compute_omega_chunk.cpp | 2 +- src/compute_orientorder_atom.cpp | 6 +++--- src/compute_pair.cpp | 2 +- src/compute_pair_local.cpp | 6 +++--- src/compute_pe.cpp | 2 +- src/compute_pe_atom.cpp | 2 +- src/compute_pressure.cpp | 4 ++-- src/compute_property_atom.cpp | 4 ++-- src/compute_property_chunk.cpp | 2 +- src/compute_property_local.cpp | 2 +- src/compute_rdf.cpp | 6 +++--- src/compute_rdf.h | 2 +- src/compute_reduce.cpp | 4 ++-- src/compute_reduce_region.cpp | 4 ++-- src/compute_slice.cpp | 4 ++-- src/compute_stress_atom.cpp | 4 ++-- src/compute_temp.cpp | 2 +- src/compute_temp_chunk.cpp | 2 +- src/compute_temp_com.cpp | 4 ++-- src/compute_temp_deform.cpp | 2 +- src/compute_temp_partial.cpp | 2 +- src/compute_temp_profile.cpp | 4 ++-- src/compute_temp_ramp.cpp | 4 ++-- src/compute_temp_region.cpp | 2 +- src/compute_temp_sphere.cpp | 2 +- src/compute_torque_chunk.cpp | 2 +- src/compute_vacf.cpp | 2 +- src/compute_vcm_chunk.cpp | 2 +- src/create_atoms.cpp | 6 +++--- src/create_bonds.cpp | 4 ++-- src/create_box.cpp | 4 ++-- src/delete_atoms.cpp | 4 ++-- src/delete_bonds.cpp | 4 ++-- src/dihedral.cpp | 2 +- src/dihedral.h | 2 +- src/dihedral_hybrid.cpp | 6 +++--- src/dihedral_hybrid.h | 2 +- src/dihedral_zero.cpp | 6 +++--- src/dihedral_zero.h | 2 +- src/displace_atoms.cpp | 4 ++-- src/domain.cpp | 10 +++++----- src/domain.h | 2 +- src/dump.cpp | 6 +++--- src/dump.h | 2 +- src/dump_atom.cpp | 2 +- src/dump_cfg.cpp | 6 +++--- src/dump_custom.cpp | 6 +++--- src/dump_dcd.cpp | 10 +++++----- src/dump_image.cpp | 8 ++++---- src/dump_local.cpp | 4 ++-- src/dump_movie.cpp | 6 +++--- src/dump_xyz.cpp | 2 +- src/error.cpp | 4 ++-- src/finish.cpp | 8 ++++---- src/fix.cpp | 4 ++-- src/fix_adapt.cpp | 6 +++--- src/fix_addforce.cpp | 4 ++-- src/fix_ave_atom.cpp | 4 ++-- src/fix_ave_atom.h | 2 +- src/fix_ave_chunk.cpp | 4 ++-- src/fix_ave_chunk.h | 2 +- src/fix_ave_correlate.cpp | 4 ++-- src/fix_ave_correlate.h | 2 +- src/fix_ave_histo.cpp | 4 ++-- src/fix_ave_histo.h | 2 +- src/fix_ave_histo_weight.cpp | 4 ++-- src/fix_ave_histo_weight.h | 2 +- src/fix_ave_time.cpp | 4 ++-- src/fix_ave_time.h | 2 +- src/fix_aveforce.cpp | 4 ++-- src/fix_balance.cpp | 4 ++-- src/fix_balance.h | 2 +- src/fix_box_relax.cpp | 6 +++--- src/fix_controller.cpp | 4 ++-- src/fix_deform.cpp | 6 +++--- src/fix_deprecated.cpp | 2 +- src/fix_drag.cpp | 6 +++--- src/fix_dt_reset.cpp | 6 +++--- src/fix_enforce2d.cpp | 2 +- src/fix_external.cpp | 6 +++--- src/fix_gravity.cpp | 8 ++++---- src/fix_group.cpp | 2 +- src/fix_halt.cpp | 6 +++--- src/fix_halt.h | 2 +- src/fix_heat.cpp | 6 +++--- src/fix_indent.cpp | 6 +++--- src/fix_langevin.cpp | 6 +++--- src/fix_lineforce.cpp | 6 +++--- src/fix_minimize.cpp | 2 +- src/fix_momentum.cpp | 4 ++-- src/fix_move.cpp | 6 +++--- src/fix_move.h | 2 +- src/fix_neigh_history.cpp | 4 ++-- src/fix_nh.cpp | 10 +++++----- src/fix_nh_sphere.cpp | 2 +- src/fix_nph.cpp | 2 +- src/fix_nph_sphere.cpp | 2 +- src/fix_npt.cpp | 2 +- src/fix_npt_sphere.cpp | 2 +- src/fix_nve.cpp | 4 ++-- src/fix_nve_limit.cpp | 8 ++++---- src/fix_nve_noforce.cpp | 4 ++-- src/fix_nve_sphere.cpp | 6 +++--- src/fix_nvt.cpp | 2 +- src/fix_nvt_sllod.cpp | 4 ++-- src/fix_nvt_sphere.cpp | 2 +- src/fix_planeforce.cpp | 6 +++--- src/fix_press_berendsen.cpp | 6 +++--- src/fix_print.cpp | 4 ++-- src/fix_print.h | 2 +- src/fix_property_atom.cpp | 4 ++-- src/fix_read_restart.cpp | 2 +- src/fix_recenter.cpp | 4 ++-- src/fix_respa.cpp | 4 ++-- src/fix_restrain.cpp | 6 +++--- src/fix_setforce.cpp | 4 ++-- src/fix_spring.cpp | 6 +++--- src/fix_spring_chunk.cpp | 6 +++--- src/fix_spring_rg.cpp | 6 +++--- src/fix_spring_self.cpp | 4 ++-- src/fix_store.cpp | 4 ++-- src/fix_store.h | 2 +- src/fix_store_force.cpp | 2 +- src/fix_store_state.cpp | 4 ++-- src/fix_temp_berendsen.cpp | 6 +++--- src/fix_temp_csld.cpp | 6 +++--- src/fix_temp_csvr.cpp | 6 +++--- src/fix_temp_rescale.cpp | 6 +++--- src/fix_tmd.cpp | 6 +++--- src/fix_tmd.h | 2 +- src/fix_vector.cpp | 2 +- src/fix_viscous.cpp | 6 +++--- src/fix_wall.cpp | 6 +++--- src/fix_wall_harmonic.cpp | 2 +- src/fix_wall_lj1043.cpp | 2 +- src/fix_wall_lj126.cpp | 2 +- src/fix_wall_lj93.cpp | 2 +- src/fix_wall_reflect.cpp | 4 ++-- src/fix_wall_region.cpp | 6 +++--- src/force.cpp | 6 +++--- src/force.h | 2 +- src/group.cpp | 8 ++++---- src/group.h | 2 +- src/image.cpp | 10 +++++----- src/image.h | 4 ++-- src/imbalance.h | 2 +- src/imbalance_store.cpp | 2 +- src/imbalance_var.cpp | 2 +- src/improper.cpp | 2 +- src/improper.h | 2 +- src/improper_hybrid.cpp | 6 +++--- src/improper_hybrid.h | 2 +- src/improper_zero.cpp | 6 +++--- src/improper_zero.h | 2 +- src/info.cpp | 6 +++--- src/input.cpp | 8 ++++---- src/input.h | 2 +- src/integrate.cpp | 2 +- src/irregular.cpp | 4 ++-- src/kspace.cpp | 4 ++-- src/lammps.cpp | 4 ++-- src/lammps.h | 2 +- src/lattice.cpp | 6 +++--- src/library.cpp | 4 ++-- src/lmptype.h | 8 +++----- src/lmpwindows.h | 4 ++-- src/main.cpp | 4 ++-- src/math_extra.cpp | 4 ++-- src/math_extra.h | 6 +++--- src/math_special.cpp | 4 ++-- src/math_special.h | 2 +- src/math_vector.h | 4 ++-- src/memory.cpp | 6 +++--- src/mergesort.h | 2 +- src/min.cpp | 6 +++--- src/min_cg.cpp | 4 ++-- src/min_fire.cpp | 2 +- src/min_hftn.cpp | 4 ++-- src/min_linesearch.cpp | 2 +- src/min_quickmin.cpp | 2 +- src/min_sd.cpp | 2 +- src/minimize.cpp | 2 +- src/modify.cpp | 4 ++-- src/modify.h | 2 +- src/molecule.cpp | 4 ++-- src/my_page.h | 2 +- src/my_pool_chunk.h | 2 +- src/nbin.cpp | 2 +- src/neighbor.cpp | 6 +++--- src/npair.cpp | 4 ++-- src/npair_half_size_bin_newtoff.cpp | 2 +- src/npair_half_size_bin_newton.cpp | 2 +- src/npair_half_size_bin_newton_tri.cpp | 2 +- src/npair_half_size_nsq_newtoff.cpp | 2 +- src/npair_half_size_nsq_newton.cpp | 2 +- src/npair_skip_size.cpp | 2 +- src/npair_skip_size_off2on.cpp | 2 +- src/npair_skip_size_off2on_oneside.cpp | 2 +- src/ntopo.cpp | 2 +- src/output.cpp | 6 +++--- src/pair.cpp | 14 +++++++------- src/pair_beck.cpp | 6 +++--- src/pair_born.cpp | 8 ++++---- src/pair_born_coul_dsf.cpp | 8 ++++---- src/pair_born_coul_wolf.cpp | 8 ++++---- src/pair_buck.cpp | 8 ++++---- src/pair_buck_coul_cut.cpp | 6 +++--- src/pair_coul_cut.cpp | 8 ++++---- src/pair_coul_debye.cpp | 8 ++++---- src/pair_coul_dsf.cpp | 8 ++++---- src/pair_coul_streitz.cpp | 8 ++++---- src/pair_coul_wolf.cpp | 8 ++++---- src/pair_dpd.cpp | 6 +++--- src/pair_dpd_tstat.cpp | 2 +- src/pair_gauss.cpp | 8 ++++---- src/pair_hybrid.cpp | 8 ++++---- src/pair_hybrid.h | 2 +- src/pair_hybrid_overlay.cpp | 6 +++--- src/pair_lj96_cut.cpp | 8 ++++---- src/pair_lj_cubic.cpp | 8 ++++---- src/pair_lj_cut.cpp | 8 ++++---- src/pair_lj_cut_coul_cut.cpp | 8 ++++---- src/pair_lj_cut_coul_debye.cpp | 4 ++-- src/pair_lj_cut_coul_dsf.cpp | 8 ++++---- src/pair_lj_cut_coul_wolf.cpp | 8 ++++---- src/pair_lj_expand.cpp | 8 ++++---- src/pair_lj_gromacs.cpp | 8 ++++---- src/pair_lj_gromacs_coul_gromacs.cpp | 8 ++++---- src/pair_lj_smooth.cpp | 6 +++--- src/pair_lj_smooth_linear.cpp | 6 +++--- src/pair_mie_cut.cpp | 8 ++++---- src/pair_morse.cpp | 8 ++++---- src/pair_soft.cpp | 8 ++++---- src/pair_table.cpp | 6 +++--- src/pair_ufm.cpp | 8 ++++---- src/pair_yukawa.cpp | 4 ++-- src/pair_zbl.cpp | 8 ++++---- src/pair_zero.cpp | 8 ++++---- src/random_mars.cpp | 2 +- src/random_park.cpp | 2 +- src/rcb.cpp | 2 +- src/read_data.cpp | 8 ++++---- src/read_data.h | 2 +- src/read_dump.cpp | 4 ++-- src/read_dump.h | 2 +- src/read_restart.cpp | 4 ++-- src/read_restart.h | 2 +- src/reader.cpp | 4 ++-- src/reader_native.cpp | 4 ++-- src/reader_xyz.cpp | 4 ++-- src/region.cpp | 6 +++--- src/region_block.cpp | 4 ++-- src/region_cone.cpp | 6 +++--- src/region_cylinder.cpp | 6 +++--- src/region_intersect.cpp | 4 ++-- src/region_plane.cpp | 6 +++--- src/region_prism.cpp | 6 +++--- src/region_sphere.cpp | 6 +++--- src/region_union.cpp | 4 ++-- src/replicate.cpp | 4 ++-- src/rerun.cpp | 4 ++-- src/respa.cpp | 4 ++-- src/run.cpp | 4 ++-- src/set.cpp | 6 +++--- src/special.cpp | 2 +- src/thermo.cpp | 6 +++--- src/timer.cpp | 8 ++++---- src/universe.cpp | 8 ++++---- src/universe.h | 2 +- src/update.cpp | 4 ++-- src/variable.cpp | 8 ++++---- src/variable.h | 2 +- src/velocity.cpp | 8 ++++---- src/verlet.cpp | 2 +- src/write_coeff.cpp | 2 +- src/write_coeff.h | 2 +- src/write_data.cpp | 2 +- src/write_data.h | 2 +- src/write_dump.cpp | 2 +- src/write_restart.cpp | 2 +- src/write_restart.h | 2 +- 1309 files changed, 3075 insertions(+), 3098 deletions(-) diff --git a/src/ASPHERE/compute_temp_asphere.cpp b/src/ASPHERE/compute_temp_asphere.cpp index b6d37db6ce..011d8cae80 100644 --- a/src/ASPHERE/compute_temp_asphere.cpp +++ b/src/ASPHERE/compute_temp_asphere.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_asphere.h" #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/fix_nh_asphere.cpp b/src/ASPHERE/fix_nh_asphere.cpp index 2eee28dc1c..828c064a52 100644 --- a/src/ASPHERE/fix_nh_asphere.cpp +++ b/src/ASPHERE/fix_nh_asphere.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "math_extra.h" #include "fix_nh_asphere.h" #include "atom.h" diff --git a/src/ASPHERE/fix_nph_asphere.cpp b/src/ASPHERE/fix_nph_asphere.cpp index e0558ef4f2..5f201a8463 100644 --- a/src/ASPHERE/fix_nph_asphere.cpp +++ b/src/ASPHERE/fix_nph_asphere.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_asphere.h" #include "modify.h" #include "error.h" diff --git a/src/ASPHERE/fix_npt_asphere.cpp b/src/ASPHERE/fix_npt_asphere.cpp index 205630376a..5d52891169 100644 --- a/src/ASPHERE/fix_npt_asphere.cpp +++ b/src/ASPHERE/fix_npt_asphere.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_asphere.h" #include "modify.h" #include "error.h" diff --git a/src/ASPHERE/fix_nve_asphere.cpp b/src/ASPHERE/fix_nve_asphere.cpp index 2ac3f95c53..a33848f1a1 100644 --- a/src/ASPHERE/fix_nve_asphere.cpp +++ b/src/ASPHERE/fix_nve_asphere.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_asphere.h" #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/fix_nve_asphere_noforce.cpp b/src/ASPHERE/fix_nve_asphere_noforce.cpp index 34fb57159c..d944b68f35 100644 --- a/src/ASPHERE/fix_nve_asphere_noforce.cpp +++ b/src/ASPHERE/fix_nve_asphere_noforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_asphere_noforce.h" #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/fix_nve_line.cpp b/src/ASPHERE/fix_nve_line.cpp index 554242fb5b..c145e99fcb 100644 --- a/src/ASPHERE/fix_nve_line.cpp +++ b/src/ASPHERE/fix_nve_line.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_line.h" #include "atom.h" #include "atom_vec_line.h" diff --git a/src/ASPHERE/fix_nve_tri.cpp b/src/ASPHERE/fix_nve_tri.cpp index f859ce08c8..d06063d905 100644 --- a/src/ASPHERE/fix_nve_tri.cpp +++ b/src/ASPHERE/fix_nve_tri.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_tri.h" #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/fix_nvt_asphere.cpp b/src/ASPHERE/fix_nvt_asphere.cpp index f43e731c23..5ef91923eb 100644 --- a/src/ASPHERE/fix_nvt_asphere.cpp +++ b/src/ASPHERE/fix_nvt_asphere.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_asphere.h" #include "group.h" #include "modify.h" diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp index 9ff87326ed..857541957e 100644 --- a/src/ASPHERE/pair_gayberne.cpp +++ b/src/ASPHERE/pair_gayberne.cpp @@ -15,10 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gayberne.h" #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/pair_line_lj.cpp b/src/ASPHERE/pair_line_lj.cpp index 83a6f4ea8c..963ff985c4 100644 --- a/src/ASPHERE/pair_line_lj.cpp +++ b/src/ASPHERE/pair_line_lj.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_line_lj.h" #include "atom.h" #include "atom_vec_line.h" diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp index caa031a1e8..c477b1b8cf 100644 --- a/src/ASPHERE/pair_resquared.cpp +++ b/src/ASPHERE/pair_resquared.cpp @@ -15,10 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_resquared.h" #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/pair_tri_lj.cpp b/src/ASPHERE/pair_tri_lj.cpp index 4f30b40e9a..142caf3764 100644 --- a/src/ASPHERE/pair_tri_lj.cpp +++ b/src/ASPHERE/pair_tri_lj.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tri_lj.h" #include "math_extra.h" #include "atom.h" diff --git a/src/BODY/body_nparticle.cpp b/src/BODY/body_nparticle.cpp index 7e3e6f463c..684e5768da 100644 --- a/src/BODY/body_nparticle.cpp +++ b/src/BODY/body_nparticle.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "body_nparticle.h" #include "math_extra.h" #include "atom_vec_body.h" diff --git a/src/BODY/compute_body_local.cpp b/src/BODY/compute_body_local.cpp index e72dd59b25..df8a76d0fe 100644 --- a/src/BODY/compute_body_local.cpp +++ b/src/BODY/compute_body_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_body_local.h" #include "atom.h" #include "atom_vec_body.h" diff --git a/src/BODY/compute_temp_body.cpp b/src/BODY/compute_temp_body.cpp index ec992cea22..5446fb6d64 100644 --- a/src/BODY/compute_temp_body.cpp +++ b/src/BODY/compute_temp_body.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_body.h" #include "math_extra.h" #include "atom.h" diff --git a/src/BODY/fix_nh_body.cpp b/src/BODY/fix_nh_body.cpp index a1865dfd18..9739842419 100644 --- a/src/BODY/fix_nh_body.cpp +++ b/src/BODY/fix_nh_body.cpp @@ -16,9 +16,9 @@ based on FixNHAsphere ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "math_extra.h" #include "fix_nh_body.h" #include "atom.h" diff --git a/src/BODY/fix_nph_body.cpp b/src/BODY/fix_nph_body.cpp index 99e33a3d22..e647488bce 100644 --- a/src/BODY/fix_nph_body.cpp +++ b/src/BODY/fix_nph_body.cpp @@ -15,7 +15,7 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_body.h" #include "modify.h" #include "error.h" diff --git a/src/BODY/fix_npt_body.cpp b/src/BODY/fix_npt_body.cpp index 077a7babd4..3c30e9e4e9 100644 --- a/src/BODY/fix_npt_body.cpp +++ b/src/BODY/fix_npt_body.cpp @@ -15,7 +15,7 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_body.h" #include "modify.h" #include "error.h" diff --git a/src/BODY/fix_nve_body.cpp b/src/BODY/fix_nve_body.cpp index edc88ed3b4..0606723cb7 100644 --- a/src/BODY/fix_nve_body.cpp +++ b/src/BODY/fix_nve_body.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_body.h" #include "math_extra.h" #include "atom.h" diff --git a/src/BODY/fix_nvt_body.cpp b/src/BODY/fix_nvt_body.cpp index 464f42eae9..273b5e7fff 100644 --- a/src/BODY/fix_nvt_body.cpp +++ b/src/BODY/fix_nvt_body.cpp @@ -15,7 +15,7 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_body.h" #include "group.h" #include "modify.h" diff --git a/src/BODY/pair_body.cpp b/src/BODY/pair_body.cpp index b1be997310..8c12c0cf36 100644 --- a/src/BODY/pair_body.cpp +++ b/src/BODY/pair_body.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_body.h" #include "math_extra.h" #include "atom.h" diff --git a/src/CLASS2/angle_class2.cpp b/src/CLASS2/angle_class2.cpp index 7dfdaa17f4..24f41bfd58 100644 --- a/src/CLASS2/angle_class2.cpp +++ b/src/CLASS2/angle_class2.cpp @@ -15,9 +15,9 @@ Contributing author: Eric Simon (Cray) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "angle_class2.h" #include "atom.h" #include "neighbor.h" diff --git a/src/CLASS2/angle_class2.h b/src/CLASS2/angle_class2.h index 1d595d5f6a..d18f71e1eb 100644 --- a/src/CLASS2/angle_class2.h +++ b/src/CLASS2/angle_class2.h @@ -20,7 +20,7 @@ AngleStyle(class2,AngleClass2) #ifndef LMP_ANGLE_CLASS2_H #define LMP_ANGLE_CLASS2_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/CLASS2/bond_class2.cpp b/src/CLASS2/bond_class2.cpp index b016de0206..c3dc09715c 100644 --- a/src/CLASS2/bond_class2.cpp +++ b/src/CLASS2/bond_class2.cpp @@ -15,8 +15,8 @@ Contributing author: Eric Simon (Cray) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_class2.h" #include "atom.h" #include "neighbor.h" diff --git a/src/CLASS2/bond_class2.h b/src/CLASS2/bond_class2.h index 51e2c939a7..f8e294e2b0 100644 --- a/src/CLASS2/bond_class2.h +++ b/src/CLASS2/bond_class2.h @@ -20,7 +20,7 @@ BondStyle(class2,BondClass2) #ifndef LMP_BOND_CLASS2_H #define LMP_BOND_CLASS2_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/CLASS2/dihedral_class2.cpp b/src/CLASS2/dihedral_class2.cpp index b79f574829..c6360dd846 100644 --- a/src/CLASS2/dihedral_class2.cpp +++ b/src/CLASS2/dihedral_class2.cpp @@ -15,9 +15,9 @@ Contributing author: Eric Simon (Cray) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dihedral_class2.h" #include "atom.h" #include "neighbor.h" diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h index e8309dad7a..9ccf6623a0 100644 --- a/src/CLASS2/dihedral_class2.h +++ b/src/CLASS2/dihedral_class2.h @@ -20,7 +20,7 @@ DihedralStyle(class2,DihedralClass2) #ifndef LMP_DIHEDRAL_CLASS2_H #define LMP_DIHEDRAL_CLASS2_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/CLASS2/improper_class2.cpp b/src/CLASS2/improper_class2.cpp index e7c4aa94be..3b3811584d 100644 --- a/src/CLASS2/improper_class2.cpp +++ b/src/CLASS2/improper_class2.cpp @@ -15,9 +15,9 @@ Contributing author: Eric Simon (Cray) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "improper_class2.h" #include "atom.h" #include "neighbor.h" diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h index f814da96c5..f155f67c5c 100644 --- a/src/CLASS2/improper_class2.h +++ b/src/CLASS2/improper_class2.h @@ -20,7 +20,7 @@ ImproperStyle(class2,ImproperClass2) #ifndef LMP_IMPROPER_CLASS2_H #define LMP_IMPROPER_CLASS2_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp index 0b90b2717e..e255807ab6 100644 --- a/src/CLASS2/pair_lj_class2.cpp +++ b/src/CLASS2/pair_lj_class2.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_lj_class2.h" #include "atom.h" #include "comm.h" diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp index 395953e0a9..5cd5ad0e32 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.cpp +++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_lj_class2_coul_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp index 9278703e2a..bf892bc894 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.cpp +++ b/src/CLASS2/pair_lj_class2_coul_long.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_class2_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/COLLOID/fix_wall_colloid.cpp b/src/COLLOID/fix_wall_colloid.cpp index 651e0da4f8..095d01eef3 100644 --- a/src/COLLOID/fix_wall_colloid.cpp +++ b/src/COLLOID/fix_wall_colloid.cpp @@ -15,8 +15,8 @@ Contributing authors: Jeremy Lechman (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_wall_colloid.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_brownian.cpp b/src/COLLOID/pair_brownian.cpp index 2bf01303b4..e532c06c86 100644 --- a/src/COLLOID/pair_brownian.cpp +++ b/src/COLLOID/pair_brownian.cpp @@ -15,10 +15,10 @@ Contributing authors: Amit Kumar and Michael Bybee (UIUC) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_brownian.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_brownian_poly.cpp b/src/COLLOID/pair_brownian_poly.cpp index 84c56109d1..c6d5def2fa 100644 --- a/src/COLLOID/pair_brownian_poly.cpp +++ b/src/COLLOID/pair_brownian_poly.cpp @@ -16,10 +16,10 @@ Dave Heine (Corning), polydispersity ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_brownian_poly.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_colloid.cpp b/src/COLLOID/pair_colloid.cpp index 983b973e0e..4448d6e110 100644 --- a/src/COLLOID/pair_colloid.cpp +++ b/src/COLLOID/pair_colloid.cpp @@ -15,10 +15,10 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_colloid.h" #include "atom.h" #include "comm.h" diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp index 93cb48a15d..5410a4c773 100644 --- a/src/COLLOID/pair_lubricate.cpp +++ b/src/COLLOID/pair_lubricate.cpp @@ -16,10 +16,10 @@ Amit Kumar and Michael Bybee (UIUC) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lubricate.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_lubricateU.cpp b/src/COLLOID/pair_lubricateU.cpp index 5d0a4243a7..11fb213157 100644 --- a/src/COLLOID/pair_lubricateU.cpp +++ b/src/COLLOID/pair_lubricateU.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lubricateU.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_lubricateU_poly.cpp b/src/COLLOID/pair_lubricateU_poly.cpp index 428aa41cb6..90ac848d26 100644 --- a/src/COLLOID/pair_lubricateU_poly.cpp +++ b/src/COLLOID/pair_lubricateU_poly.cpp @@ -18,10 +18,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lubricateU_poly.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_lubricate_poly.cpp b/src/COLLOID/pair_lubricate_poly.cpp index 2561ca3637..0ed87c37be 100644 --- a/src/COLLOID/pair_lubricate_poly.cpp +++ b/src/COLLOID/pair_lubricate_poly.cpp @@ -17,10 +17,10 @@ Dave Heine (Corning), polydispersity ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lubricate_poly.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_yukawa_colloid.cpp b/src/COLLOID/pair_yukawa_colloid.cpp index 87fa7f5422..5965fd3aa8 100644 --- a/src/COLLOID/pair_yukawa_colloid.cpp +++ b/src/COLLOID/pair_yukawa_colloid.cpp @@ -15,8 +15,8 @@ Contributing authors: Randy Schunk (Sandia) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_yukawa_colloid.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/COMPRESS/dump_atom_gz.cpp b/src/COMPRESS/dump_atom_gz.cpp index dfd23e2b4a..fb605b74ce 100644 --- a/src/COMPRESS/dump_atom_gz.cpp +++ b/src/COMPRESS/dump_atom_gz.cpp @@ -16,7 +16,7 @@ #include "error.h" #include "update.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_cfg_gz.cpp b/src/COMPRESS/dump_cfg_gz.cpp index 6f653e73ee..a1ffa92ec8 100644 --- a/src/COMPRESS/dump_cfg_gz.cpp +++ b/src/COMPRESS/dump_cfg_gz.cpp @@ -17,7 +17,7 @@ #include "error.h" #include "update.h" -#include +#include using namespace LAMMPS_NS; #define UNWRAPEXPAND 10.0 diff --git a/src/COMPRESS/dump_custom_gz.cpp b/src/COMPRESS/dump_custom_gz.cpp index 1905577a12..52d67445be 100644 --- a/src/COMPRESS/dump_custom_gz.cpp +++ b/src/COMPRESS/dump_custom_gz.cpp @@ -16,7 +16,7 @@ #include "error.h" #include "update.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_xyz_gz.cpp b/src/COMPRESS/dump_xyz_gz.cpp index 1a4474cba2..047ad8652f 100644 --- a/src/COMPRESS/dump_xyz_gz.cpp +++ b/src/COMPRESS/dump_xyz_gz.cpp @@ -16,7 +16,7 @@ #include "error.h" #include "update.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/CORESHELL/compute_temp_cs.cpp b/src/CORESHELL/compute_temp_cs.cpp index d2345684dc..03ebfa154d 100644 --- a/src/CORESHELL/compute_temp_cs.cpp +++ b/src/CORESHELL/compute_temp_cs.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_temp_cs.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/CORESHELL/pair_born_coul_dsf_cs.cpp b/src/CORESHELL/pair_born_coul_dsf_cs.cpp index 4a5c9da07e..549c7c0348 100644 --- a/src/CORESHELL/pair_born_coul_dsf_cs.cpp +++ b/src/CORESHELL/pair_born_coul_dsf_cs.cpp @@ -16,10 +16,10 @@ References: Fennell and Gezelter, JCP 124, 234104 (2006) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_dsf_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/CORESHELL/pair_born_coul_long_cs.cpp b/src/CORESHELL/pair_born_coul_long_cs.cpp index 7d0d9c9416..76f6eb387d 100644 --- a/src/CORESHELL/pair_born_coul_long_cs.cpp +++ b/src/CORESHELL/pair_born_coul_long_cs.cpp @@ -15,10 +15,10 @@ Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_long_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/CORESHELL/pair_born_coul_wolf_cs.cpp b/src/CORESHELL/pair_born_coul_wolf_cs.cpp index f39e2ca816..84179ce50a 100644 --- a/src/CORESHELL/pair_born_coul_wolf_cs.cpp +++ b/src/CORESHELL/pair_born_coul_wolf_cs.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_wolf_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/CORESHELL/pair_buck_coul_long_cs.cpp b/src/CORESHELL/pair_buck_coul_long_cs.cpp index 822ec10497..ea072d44a1 100644 --- a/src/CORESHELL/pair_buck_coul_long_cs.cpp +++ b/src/CORESHELL/pair_buck_coul_long_cs.cpp @@ -15,10 +15,10 @@ Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_long_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/CORESHELL/pair_coul_long_cs.cpp b/src/CORESHELL/pair_coul_long_cs.cpp index 9177e9a061..b214653841 100644 --- a/src/CORESHELL/pair_coul_long_cs.cpp +++ b/src/CORESHELL/pair_coul_long_cs.cpp @@ -15,10 +15,10 @@ Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_long_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/CORESHELL/pair_coul_wolf_cs.cpp b/src/CORESHELL/pair_coul_wolf_cs.cpp index 5f277dcdd2..b50f14833e 100644 --- a/src/CORESHELL/pair_coul_wolf_cs.cpp +++ b/src/CORESHELL/pair_coul_wolf_cs.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_wolf_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp b/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp index c660eee3bc..8caefc0e66 100644 --- a/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp +++ b/src/CORESHELL/pair_lj_cut_coul_long_cs.cpp @@ -15,10 +15,10 @@ Contributing author: Hendrik Heenen (hendrik.heenen@mytum.de) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_long_cs.h" #include "atom.h" #include "comm.h" diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp index 5d69f03376..c304ae3bc6 100644 --- a/src/DIPOLE/atom_vec_dipole.cpp +++ b/src/DIPOLE/atom_vec_dipole.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_dipole.h" #include "atom.h" #include "comm.h" diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp index af987bf258..6af9b45724 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp @@ -11,8 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "pair_lj_cut_dipole_cut.h" #include "atom.h" #include "neighbor.h" @@ -22,7 +23,6 @@ #include "memory.h" #include "error.h" #include "update.h" -#include using namespace LAMMPS_NS; diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp index 63f48bea81..817a120e3d 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_dipole_long.h" #include "atom.h" #include "comm.h" @@ -26,7 +26,6 @@ #include "memory.h" #include "error.h" #include "update.h" -#include using namespace LAMMPS_NS; diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index 262727c5b6..1635bd4f63 100644 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -15,10 +15,10 @@ Contributing author: Pieter J. in 't Veld and Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "math_const.h" #include "math_vector.h" #include "pair_lj_long_dipole_long.h" diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp index 87db73bd12..268a741032 100644 --- a/src/GPU/fix_gpu.cpp +++ b/src/GPU/fix_gpu.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_gpu.h" #include "atom.h" #include "force.h" diff --git a/src/GPU/pair_beck_gpu.cpp b/src/GPU/pair_beck_gpu.cpp index c813186640..f929dd437f 100644 --- a/src/GPU/pair_beck_gpu.cpp +++ b/src/GPU/pair_beck_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_beck_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" #include "math_special.h" diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp index b6a7e57038..c3c3fee40c 100644 --- a/src/GPU/pair_born_coul_long_gpu.cpp +++ b/src/GPU/pair_born_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -33,7 +34,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp index 931252be6b..df1922d76a 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_gpu.cpp @@ -15,9 +15,10 @@ Contributing authors: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_wolf_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -33,7 +34,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp index 46729ab77c..92a7a85997 100644 --- a/src/GPU/pair_born_gpu.cpp +++ b/src/GPU/pair_born_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_born_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp index e74020dd3a..6396e301e3 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.cpp +++ b/src/GPU/pair_buck_coul_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing authors: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp index c2a37fc3dc..73821cee8a 100644 --- a/src/GPU/pair_buck_coul_long_gpu.cpp +++ b/src/GPU/pair_buck_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp index 1e9b838ec8..20302e4f1a 100644 --- a/src/GPU/pair_buck_gpu.cpp +++ b/src/GPU/pair_buck_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp index d4e8224238..7bbac32ed3 100644 --- a/src/GPU/pair_colloid_gpu.cpp +++ b/src/GPU/pair_colloid_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_colloid_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp index c66a0a8ef4..d5d9b10abb 100644 --- a/src/GPU/pair_coul_cut_gpu.cpp +++ b/src/GPU/pair_coul_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp index 2b5d608fc7..9fd28bf9c5 100644 --- a/src/GPU/pair_coul_debye_gpu.cpp +++ b/src/GPU/pair_coul_debye_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ndtrung@umich.edu) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_debye_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp index d2d060281c..75168c3cd9 100644 --- a/src/GPU/pair_coul_dsf_gpu.cpp +++ b/src/GPU/pair_coul_dsf_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_dsf_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" #define MY_PIS 1.77245385090551602729 diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp index 465d82232f..2f12e41b0c 100644 --- a/src/GPU/pair_coul_long_gpu.cpp +++ b/src/GPU/pair_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Axel Kohlmeyer (Temple) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp index c82ed97485..293a82ffa9 100644 --- a/src/GPU/pair_dpd_gpu.cpp +++ b/src/GPU/pair_dpd_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_dpd_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -33,7 +34,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp index e051a13a0b..bf02570f43 100644 --- a/src/GPU/pair_dpd_tstat_gpu.cpp +++ b/src/GPU/pair_dpd_tstat_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_dpd_tstat_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -33,7 +34,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index 9b42b0a14f..3a8e440bdc 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -15,9 +15,9 @@ Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_alloy_gpu.h" #include "atom.h" #include "force.h" diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index c29b49631c..51681d563b 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -15,9 +15,9 @@ Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_fs_gpu.h" #include "atom.h" #include "force.h" diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index ea75ff8ca8..e2eb9daced 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -15,10 +15,10 @@ Contributing authors: Trung Dac Nguyen (ORNL), W. Michael Brown (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_eam_gpu.h" #include "atom.h" #include "force.h" diff --git a/src/GPU/pair_eam_gpu.h b/src/GPU/pair_eam_gpu.h index 2c4731d9cf..099529f3df 100644 --- a/src/GPU/pair_eam_gpu.h +++ b/src/GPU/pair_eam_gpu.h @@ -20,7 +20,7 @@ PairStyle(eam/gpu,PairEAMGPU) #ifndef LMP_PAIR_EAM_GPU_H #define LMP_PAIR_EAM_GPU_H -#include +#include #include "pair_eam.h" namespace LAMMPS_NS { diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp index 01cc63a9f9..f99a10a680 100644 --- a/src/GPU/pair_gauss_gpu.cpp +++ b/src/GPU/pair_gauss_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_gauss_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp index aae8fb2b71..8bd5eb073f 100644 --- a/src/GPU/pair_gayberne_gpu.cpp +++ b/src/GPU/pair_gayberne_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_gayberne_gpu.h" #include "math_extra.h" #include "atom.h" @@ -34,7 +35,6 @@ #include "universe.h" #include "domain.h" #include "update.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp index 813daa4da2..800f13ef60 100644 --- a/src/GPU/pair_lj96_cut_gpu.cpp +++ b/src/GPU/pair_lj96_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj96_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp index b951567f45..8c806053d4 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp index f7c874cb65..214ff306db 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_class2_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp index cc6866db1c..61b0a8caf1 100644 --- a/src/GPU/pair_lj_class2_gpu.cpp +++ b/src/GPU/pair_lj_class2_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_class2_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cubic_gpu.cpp b/src/GPU/pair_lj_cubic_gpu.cpp index 516ac7d154..366c33191b 100644 --- a/src/GPU/pair_lj_cubic_gpu.cpp +++ b/src/GPU/pair_lj_cubic_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cubic_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp index 840c07680f..baafcd2d62 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp index 39108d8558..662375da2c 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_debye_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp index efca1a2c51..c8e68140a1 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_dsf_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" #define MY_PIS 1.77245385090551602729 diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp index 0c09cb1d51..3cccb898cc 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp index 7d8be01e81..04ffe245b2 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_msm_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -33,7 +34,6 @@ #include "update.h" #include "domain.h" #include "kspace.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp index 3b5f0c1283..1f4528cb88 100644 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_dipole_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp index feba9ed88b..af654bcc5d 100644 --- a/src/GPU/pair_lj_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp index 43ec1ec45a..f0a9f67b10 100644 --- a/src/GPU/pair_lj_expand_gpu.cpp +++ b/src/GPU/pair_lj_expand_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Inderaj Bains (NVIDIA), ibains@nvidia.com ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_expand_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp index d749eacba3..f200679829 100644 --- a/src/GPU/pair_lj_gromacs_gpu.cpp +++ b/src/GPU/pair_lj_gromacs_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_gromacs_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp index 77c0dc0660..4dbd8874d6 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sdk_coul_long_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "kspace.h" #include "gpu_extra.h" diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp index 67103181d5..84d224a8c4 100644 --- a/src/GPU/pair_lj_sdk_gpu.cpp +++ b/src/GPU/pair_lj_sdk_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sdk_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp index 5b22bebf7f..a5ebb1dbc1 100644 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sf_dipole_sf_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp index 4857928a27..5919b05466 100644 --- a/src/GPU/pair_mie_cut_gpu.cpp +++ b/src/GPU/pair_mie_cut_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_mie_cut_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp index b72a6afaf4..81ea7c818a 100644 --- a/src/GPU/pair_morse_gpu.cpp +++ b/src/GPU/pair_morse_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_morse_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp index d83a63c467..34bd0ec22f 100644 --- a/src/GPU/pair_resquared_gpu.cpp +++ b/src/GPU/pair_resquared_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_resquared_gpu.h" #include "math_extra.h" #include "atom.h" @@ -34,7 +35,6 @@ #include "universe.h" #include "domain.h" #include "update.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp index aa0268025c..cc0ea72633 100644 --- a/src/GPU/pair_soft_gpu.cpp +++ b/src/GPU/pair_soft_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_soft_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" #include "math_const.h" diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp index d2d21a131a..5368bee959 100644 --- a/src/GPU/pair_sw_gpu.cpp +++ b/src/GPU/pair_sw_gpu.cpp @@ -15,10 +15,10 @@ Contributing author: Mike Brown (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_sw_gpu.h" #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp index b0a38eb461..c5aef996db 100644 --- a/src/GPU/pair_table_gpu.cpp +++ b/src/GPU/pair_table_gpu.cpp @@ -15,9 +15,10 @@ Contributing authors: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_table_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" #define LOOKUP 0 diff --git a/src/GPU/pair_tersoff_gpu.cpp b/src/GPU/pair_tersoff_gpu.cpp index 41d8e6b751..535b56163e 100644 --- a/src/GPU/pair_tersoff_gpu.cpp +++ b/src/GPU/pair_tersoff_gpu.cpp @@ -15,10 +15,10 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_gpu.h" #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_tersoff_mod_gpu.cpp b/src/GPU/pair_tersoff_mod_gpu.cpp index 25ea2cb99f..f8b6c50db5 100644 --- a/src/GPU/pair_tersoff_mod_gpu.cpp +++ b/src/GPU/pair_tersoff_mod_gpu.cpp @@ -15,10 +15,10 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_mod_gpu.h" #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_tersoff_zbl_gpu.cpp b/src/GPU/pair_tersoff_zbl_gpu.cpp index b4b679b7d0..b45503d759 100644 --- a/src/GPU/pair_tersoff_zbl_gpu.cpp +++ b/src/GPU/pair_tersoff_zbl_gpu.cpp @@ -15,10 +15,10 @@ Contributing author: Trung Dac Nguyen (ndactrung@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_zbl_gpu.h" #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_ufm_gpu.cpp b/src/GPU/pair_ufm_gpu.cpp index ad66c3871f..40e8df3323 100644 --- a/src/GPU/pair_ufm_gpu.cpp +++ b/src/GPU/pair_ufm_gpu.cpp @@ -17,9 +17,10 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_ufm_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -34,7 +35,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_vashishta_gpu.cpp b/src/GPU/pair_vashishta_gpu.cpp index 7d21aaa581..00dbac5f1e 100644 --- a/src/GPU/pair_vashishta_gpu.cpp +++ b/src/GPU/pair_vashishta_gpu.cpp @@ -15,10 +15,10 @@ Contributing author: Anders Hafreager (UiO) ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_vashishta_gpu.h" #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp index 4041bd2ebf..0332e5f755 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.cpp +++ b/src/GPU/pair_yukawa_colloid_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_yukawa_colloid_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp index fcb0ae56bc..dda4250f07 100644 --- a/src/GPU/pair_yukawa_gpu.cpp +++ b/src/GPU/pair_yukawa_gpu.cpp @@ -15,9 +15,10 @@ Contributing author: Trung Dac Nguyen (ORNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_yukawa_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -32,7 +33,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_zbl_gpu.cpp b/src/GPU/pair_zbl_gpu.cpp index f1f6bdd44b..daca79c8e3 100644 --- a/src/GPU/pair_zbl_gpu.cpp +++ b/src/GPU/pair_zbl_gpu.cpp @@ -16,9 +16,10 @@ ------------------------------------------------------------------------- */ #include "lmptype.h" -#include -#include -#include +#include +#include +#include +#include #include "pair_zbl_gpu.h" #include "atom.h" #include "atom_vec.h" @@ -33,7 +34,6 @@ #include "universe.h" #include "update.h" #include "domain.h" -#include #include "gpu_extra.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pppm_gpu.cpp b/src/GPU/pppm_gpu.cpp index b2b529f7ef..1f7c4239f8 100644 --- a/src/GPU/pppm_gpu.cpp +++ b/src/GPU/pppm_gpu.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pppm_gpu.h" #include "atom.h" #include "comm.h" diff --git a/src/GRANULAR/fix_freeze.cpp b/src/GRANULAR/fix_freeze.cpp index 3cfee675b2..0f581be01c 100644 --- a/src/GRANULAR/fix_freeze.cpp +++ b/src/GRANULAR/fix_freeze.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_freeze.h" #include "atom.h" #include "update.h" diff --git a/src/GRANULAR/fix_pour.cpp b/src/GRANULAR/fix_pour.cpp index c4e03a24a9..835d6c42dd 100644 --- a/src/GRANULAR/fix_pour.cpp +++ b/src/GRANULAR/fix_pour.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_pour.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/GRANULAR/fix_wall_gran.cpp b/src/GRANULAR/fix_wall_gran.cpp index 033c35dbac..368ff99fb7 100644 --- a/src/GRANULAR/fix_wall_gran.cpp +++ b/src/GRANULAR/fix_wall_gran.cpp @@ -16,9 +16,9 @@ Dan Bolintineanu (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_wall_gran.h" #include "atom.h" #include "domain.h" diff --git a/src/GRANULAR/fix_wall_gran_region.cpp b/src/GRANULAR/fix_wall_gran_region.cpp index d1c5d4c9c7..12fa25714c 100644 --- a/src/GRANULAR/fix_wall_gran_region.cpp +++ b/src/GRANULAR/fix_wall_gran_region.cpp @@ -15,9 +15,9 @@ Contributing authors: Dan Bolintineanu (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_wall_gran_region.h" #include "region.h" #include "atom.h" diff --git a/src/GRANULAR/pair_gran_hertz_history.cpp b/src/GRANULAR/pair_gran_hertz_history.cpp index 9723531625..9d4f5c1a9b 100644 --- a/src/GRANULAR/pair_gran_hertz_history.cpp +++ b/src/GRANULAR/pair_gran_hertz_history.cpp @@ -15,10 +15,10 @@ Contributing authors: Leo Silbert (SNL), Gary Grest (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gran_hertz_history.h" #include "atom.h" #include "update.h" diff --git a/src/GRANULAR/pair_gran_hooke.cpp b/src/GRANULAR/pair_gran_hooke.cpp index 66e1c3dd7a..4937c2fe8b 100644 --- a/src/GRANULAR/pair_gran_hooke.cpp +++ b/src/GRANULAR/pair_gran_hooke.cpp @@ -15,9 +15,9 @@ Contributing authors: Leo Silbert (SNL), Gary Grest (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_gran_hooke.h" #include "atom.h" #include "force.h" diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index 4f120150de..d70c7391e2 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -15,10 +15,10 @@ Contributing authors: Leo Silbert (SNL), Gary Grest (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gran_hooke_history.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/KOKKOS/angle_charmm_kokkos.cpp b/src/KOKKOS/angle_charmm_kokkos.cpp index f048738489..4a81f4f494 100644 --- a/src/KOKKOS/angle_charmm_kokkos.cpp +++ b/src/KOKKOS/angle_charmm_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_charmm_kokkos.h" #include "atom_kokkos.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/angle_class2_kokkos.cpp b/src/KOKKOS/angle_class2_kokkos.cpp index 670cfa152d..870603791b 100644 --- a/src/KOKKOS/angle_class2_kokkos.cpp +++ b/src/KOKKOS/angle_class2_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Ray Shan (Materials Design) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_class2_kokkos.h" #include "atom_kokkos.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/angle_harmonic_kokkos.cpp b/src/KOKKOS/angle_harmonic_kokkos.cpp index dd5a1e26c7..d8e5659e1e 100644 --- a/src/KOKKOS/angle_harmonic_kokkos.cpp +++ b/src/KOKKOS/angle_harmonic_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_harmonic_kokkos.h" #include "atom_kokkos.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/atom_vec_angle_kokkos.cpp b/src/KOKKOS/atom_vec_angle_kokkos.cpp index 8ff6d721a8..352fec57fb 100644 --- a/src/KOKKOS/atom_vec_angle_kokkos.cpp +++ b/src/KOKKOS/atom_vec_angle_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_angle_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.cpp b/src/KOKKOS/atom_vec_atomic_kokkos.cpp index 0b96d8dbad..6aba49e5f3 100644 --- a/src/KOKKOS/atom_vec_atomic_kokkos.cpp +++ b/src/KOKKOS/atom_vec_atomic_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_atomic_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/atom_vec_bond_kokkos.cpp b/src/KOKKOS/atom_vec_bond_kokkos.cpp index adad4f767b..c884d23880 100644 --- a/src/KOKKOS/atom_vec_bond_kokkos.cpp +++ b/src/KOKKOS/atom_vec_bond_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_bond_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/atom_vec_charge_kokkos.cpp b/src/KOKKOS/atom_vec_charge_kokkos.cpp index 3e50870c8f..11e46d1274 100644 --- a/src/KOKKOS/atom_vec_charge_kokkos.cpp +++ b/src/KOKKOS/atom_vec_charge_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_charge_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.cpp b/src/KOKKOS/atom_vec_dpd_kokkos.cpp index 06ca2083dc..539f8e6736 100644 --- a/src/KOKKOS/atom_vec_dpd_kokkos.cpp +++ b/src/KOKKOS/atom_vec_dpd_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_dpd_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/atom_vec_full_kokkos.cpp b/src/KOKKOS/atom_vec_full_kokkos.cpp index 6492a264ac..a6ae1e0ccc 100644 --- a/src/KOKKOS/atom_vec_full_kokkos.cpp +++ b/src/KOKKOS/atom_vec_full_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_full_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp index 67dce07b80..7e1cc200d3 100644 --- a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp +++ b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_hybrid_kokkos.h" #include "atom_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.h b/src/KOKKOS/atom_vec_hybrid_kokkos.h index 988de7fa21..1bbbd26319 100644 --- a/src/KOKKOS/atom_vec_hybrid_kokkos.h +++ b/src/KOKKOS/atom_vec_hybrid_kokkos.h @@ -20,7 +20,7 @@ AtomStyle(hybrid/kk,AtomVecHybridKokkos) #ifndef LMP_ATOM_VEC_HYBRID_KOKKOS_H #define LMP_ATOM_VEC_HYBRID_KOKKOS_H -#include +#include #include "atom_vec_kokkos.h" #include "kokkos_type.h" diff --git a/src/KOKKOS/atom_vec_molecular_kokkos.cpp b/src/KOKKOS/atom_vec_molecular_kokkos.cpp index 1a0c03cca5..9537320976 100644 --- a/src/KOKKOS/atom_vec_molecular_kokkos.cpp +++ b/src/KOKKOS/atom_vec_molecular_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_molecular_kokkos.h" #include "atom_kokkos.h" #include "comm_kokkos.h" diff --git a/src/KOKKOS/bond_class2_kokkos.cpp b/src/KOKKOS/bond_class2_kokkos.cpp index 80f2a6dfbb..f5af93a22a 100644 --- a/src/KOKKOS/bond_class2_kokkos.cpp +++ b/src/KOKKOS/bond_class2_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Ray Shan (Materials Design) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_class2_kokkos.h" #include "atom_kokkos.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/bond_fene_kokkos.cpp b/src/KOKKOS/bond_fene_kokkos.cpp index 20c2054208..30faf4cee0 100644 --- a/src/KOKKOS/bond_fene_kokkos.cpp +++ b/src/KOKKOS/bond_fene_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_fene_kokkos.h" #include "atom_kokkos.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/bond_harmonic_kokkos.cpp b/src/KOKKOS/bond_harmonic_kokkos.cpp index e277104ddb..8aa71b9eb3 100644 --- a/src/KOKKOS/bond_harmonic_kokkos.cpp +++ b/src/KOKKOS/bond_harmonic_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_harmonic_kokkos.h" #include "atom_kokkos.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/comm_tiled_kokkos.cpp b/src/KOKKOS/comm_tiled_kokkos.cpp index 33cd8eaa6e..4809f4cff2 100644 --- a/src/KOKKOS/comm_tiled_kokkos.cpp +++ b/src/KOKKOS/comm_tiled_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "comm_tiled_kokkos.h" #include "comm_brick.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/compute_temp_kokkos.cpp b/src/KOKKOS/compute_temp_kokkos.cpp index 2ea67a1fb1..fec3d89fff 100644 --- a/src/KOKKOS/compute_temp_kokkos.cpp +++ b/src/KOKKOS/compute_temp_kokkos.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_kokkos.h" #include "atom_kokkos.h" #include "update.h" diff --git a/src/KOKKOS/dihedral_charmm_kokkos.cpp b/src/KOKKOS/dihedral_charmm_kokkos.cpp index 13e3a6d2d1..41593ffbda 100644 --- a/src/KOKKOS/dihedral_charmm_kokkos.cpp +++ b/src/KOKKOS/dihedral_charmm_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_charmm_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/dihedral_class2_kokkos.cpp b/src/KOKKOS/dihedral_class2_kokkos.cpp index b96e4c99af..f656fcf756 100644 --- a/src/KOKKOS/dihedral_class2_kokkos.cpp +++ b/src/KOKKOS/dihedral_class2_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Ray Shan (Materials Design) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_class2_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/dihedral_opls_kokkos.cpp b/src/KOKKOS/dihedral_opls_kokkos.cpp index 4349aff48d..62c481fa9c 100644 --- a/src/KOKKOS/dihedral_opls_kokkos.cpp +++ b/src/KOKKOS/dihedral_opls_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_opls_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/fix_deform_kokkos.cpp b/src/KOKKOS/fix_deform_kokkos.cpp index 5295320734..0503649795 100644 --- a/src/KOKKOS/fix_deform_kokkos.cpp +++ b/src/KOKKOS/fix_deform_kokkos.cpp @@ -15,9 +15,9 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_deform_kokkos.h" #include "atom_kokkos.h" #include "update.h" diff --git a/src/KOKKOS/fix_dpd_energy_kokkos.cpp b/src/KOKKOS/fix_dpd_energy_kokkos.cpp index e6878afed4..b12c6a476e 100644 --- a/src/KOKKOS/fix_dpd_energy_kokkos.cpp +++ b/src/KOKKOS/fix_dpd_energy_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_dpd_energy_kokkos.h" #include "atom_masks.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp index fb4ca443a9..39f612ec46 100644 --- a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp +++ b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp @@ -15,15 +15,15 @@ Contributing author: Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_eos_table_rx_kokkos.h" #include "atom_kokkos.h" #include "error.h" #include "force.h" #include "memory_kokkos.h" #include "comm.h" -#include +#include #include "modify.h" #include "atom_masks.h" @@ -387,7 +387,7 @@ void FixEOStableRXKokkos::temperature_lookup(int id, double ui, doub // Apply the Secant Method for(it=0; it()() = 2; + if(std::isnan(f1) || std::isnan(f2)) k_error_flag.template view()() = 2; temp = t1; temp = MAX(temp,lo); temp = MIN(temp,hi); @@ -403,7 +403,7 @@ void FixEOStableRXKokkos::temperature_lookup(int id, double ui, doub f2 = u2 - ui; } if(it==maxit){ - if(isnan(f1) || isnan(f2) || isnan(ui) || isnan(thetai) || isnan(t1) || isnan(t2)) + if(std::isnan(f1) || std::isnan(f2) || std::isnan(ui) || std::isnan(thetai) || std::isnan(t1) || std::isnan(t2)) k_error_flag.template view()() = 2; else k_error_flag.template view()() = 3; diff --git a/src/KOKKOS/fix_langevin_kokkos.cpp b/src/KOKKOS/fix_langevin_kokkos.cpp index 108c3b692a..24d505e08d 100644 --- a/src/KOKKOS/fix_langevin_kokkos.cpp +++ b/src/KOKKOS/fix_langevin_kokkos.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_langevin_kokkos.h" #include "atom_masks.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/fix_momentum_kokkos.cpp b/src/KOKKOS/fix_momentum_kokkos.cpp index 9ffe67a46b..9af7e79da8 100644 --- a/src/KOKKOS/fix_momentum_kokkos.cpp +++ b/src/KOKKOS/fix_momentum_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_momentum_kokkos.h" #include "atom_kokkos.h" #include "atom_masks.h" diff --git a/src/KOKKOS/fix_nh_kokkos.cpp b/src/KOKKOS/fix_nh_kokkos.cpp index 345259e355..679690ea82 100644 --- a/src/KOKKOS/fix_nh_kokkos.cpp +++ b/src/KOKKOS/fix_nh_kokkos.cpp @@ -15,9 +15,9 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nh_kokkos.h" #include "math_extra.h" #include "atom.h" diff --git a/src/KOKKOS/fix_nph_kokkos.cpp b/src/KOKKOS/fix_nph_kokkos.cpp index 34fc212c0f..ed825ad9ee 100644 --- a/src/KOKKOS/fix_nph_kokkos.cpp +++ b/src/KOKKOS/fix_nph_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_kokkos.h" #include "modify.h" #include "error.h" diff --git a/src/KOKKOS/fix_npt_kokkos.cpp b/src/KOKKOS/fix_npt_kokkos.cpp index c99a322a01..b33e733aee 100644 --- a/src/KOKKOS/fix_npt_kokkos.cpp +++ b/src/KOKKOS/fix_npt_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_kokkos.h" #include "modify.h" #include "error.h" diff --git a/src/KOKKOS/fix_nve_kokkos.cpp b/src/KOKKOS/fix_nve_kokkos.cpp index c071447eb7..cb3eadcd90 100644 --- a/src/KOKKOS/fix_nve_kokkos.cpp +++ b/src/KOKKOS/fix_nve_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nve_kokkos.h" #include "atom_masks.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/fix_nvt_kokkos.cpp b/src/KOKKOS/fix_nvt_kokkos.cpp index 9628ff0231..8b2d936274 100644 --- a/src/KOKKOS/fix_nvt_kokkos.cpp +++ b/src/KOKKOS/fix_nvt_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_kokkos.h" #include "group.h" #include "modify.h" diff --git a/src/KOKKOS/fix_property_atom_kokkos.cpp b/src/KOKKOS/fix_property_atom_kokkos.cpp index fb3f5a3f34..12f27f9932 100644 --- a/src/KOKKOS/fix_property_atom_kokkos.cpp +++ b/src/KOKKOS/fix_property_atom_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_property_atom_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/fix_qeq_reax_kokkos.cpp b/src/KOKKOS/fix_qeq_reax_kokkos.cpp index ca2525d4f0..52822856ee 100644 --- a/src/KOKKOS/fix_qeq_reax_kokkos.cpp +++ b/src/KOKKOS/fix_qeq_reax_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL), Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_reax_kokkos.h" #include "kokkos.h" #include "atom.h" diff --git a/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp b/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp index 586daadd55..9aed0b9ae4 100644 --- a/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp +++ b/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_ave_atom.h" #include "fix_reaxc_bonds_kokkos.h" #include "atom.h" diff --git a/src/KOKKOS/fix_reaxc_species_kokkos.cpp b/src/KOKKOS/fix_reaxc_species_kokkos.cpp index a676c7ef27..bd92251960 100644 --- a/src/KOKKOS/fix_reaxc_species_kokkos.cpp +++ b/src/KOKKOS/fix_reaxc_species_kokkos.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom.h" -#include +#include #include "fix_ave_atom.h" #include "fix_reaxc_species_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp index 22450e19d9..f636f6454d 100644 --- a/src/KOKKOS/fix_rx_kokkos.cpp +++ b/src/KOKKOS/fix_rx_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_rx_kokkos.h" #include "atom_masks.h" #include "atom_kokkos.h" @@ -30,7 +30,7 @@ #include "domain.h" #include "kokkos.h" -#include // DBL_EPSILON +#include // DBL_EPSILON using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/KOKKOS/fix_setforce_kokkos.cpp b/src/KOKKOS/fix_setforce_kokkos.cpp index e991609894..5150c71249 100644 --- a/src/KOKKOS/fix_setforce_kokkos.cpp +++ b/src/KOKKOS/fix_setforce_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_setforce_kokkos.h" #include "atom_kokkos.h" #include "update.h" diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp index e973e5c99f..70055bf8c9 100644 --- a/src/KOKKOS/fix_shardlow_kokkos.cpp +++ b/src/KOKKOS/fix_shardlow_kokkos.cpp @@ -33,9 +33,9 @@ 135, 204105. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_shardlow_kokkos.h" #include "atom.h" #include "atom_masks.h" @@ -44,7 +44,7 @@ #include "update.h" #include "respa.h" #include "error.h" -#include +#include #include "atom_vec.h" #include "comm.h" #include "neighbor.h" diff --git a/src/KOKKOS/fix_shardlow_kokkos.h b/src/KOKKOS/fix_shardlow_kokkos.h index 4e87de6910..0469f6033d 100644 --- a/src/KOKKOS/fix_shardlow_kokkos.h +++ b/src/KOKKOS/fix_shardlow_kokkos.h @@ -22,7 +22,6 @@ FixStyle(shardlow/kk/host,FixShardlowKokkos) #ifndef LMP_FIX_SHARDLOW_KOKKOS_H #define LMP_FIX_SHARDLOW_KOKKOS_H -#include "float.h" #include "fix_shardlow.h" #include "kokkos_type.h" #include "neigh_list_kokkos.h" diff --git a/src/KOKKOS/fix_wall_lj93_kokkos.cpp b/src/KOKKOS/fix_wall_lj93_kokkos.cpp index 602922d0ec..3aaa45f8a8 100644 --- a/src/KOKKOS/fix_wall_lj93_kokkos.cpp +++ b/src/KOKKOS/fix_wall_lj93_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_wall_lj93_kokkos.h" #include "atom_kokkos.h" #include "error.h" diff --git a/src/KOKKOS/fix_wall_reflect_kokkos.cpp b/src/KOKKOS/fix_wall_reflect_kokkos.cpp index cd7a2c59b7..2516ac6577 100644 --- a/src/KOKKOS/fix_wall_reflect_kokkos.cpp +++ b/src/KOKKOS/fix_wall_reflect_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_wall_reflect_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/improper_class2_kokkos.cpp b/src/KOKKOS/improper_class2_kokkos.cpp index 28f57608bb..fdb890be54 100644 --- a/src/KOKKOS/improper_class2_kokkos.cpp +++ b/src/KOKKOS/improper_class2_kokkos.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_class2_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/improper_harmonic_kokkos.cpp b/src/KOKKOS/improper_harmonic_kokkos.cpp index f1a0ac3631..9f4e8b9440 100644 --- a/src/KOKKOS/improper_harmonic_kokkos.cpp +++ b/src/KOKKOS/improper_harmonic_kokkos.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_harmonic_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/kokkos.cpp b/src/KOKKOS/kokkos.cpp index 5f81078afd..35b99ce19b 100644 --- a/src/KOKKOS/kokkos.cpp +++ b/src/KOKKOS/kokkos.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include #include "kokkos.h" #include "lammps.h" diff --git a/src/KOKKOS/math_special_kokkos.cpp b/src/KOKKOS/math_special_kokkos.cpp index a8c35b12b8..127168ef8b 100644 --- a/src/KOKKOS/math_special_kokkos.cpp +++ b/src/KOKKOS/math_special_kokkos.cpp @@ -1,6 +1,6 @@ -#include -#include +#include +#include #include "math_special_kokkos.h" using namespace LAMMPS_NS; diff --git a/src/KOKKOS/math_special_kokkos.h b/src/KOKKOS/math_special_kokkos.h index 254b452eab..d10d164bcf 100644 --- a/src/KOKKOS/math_special_kokkos.h +++ b/src/KOKKOS/math_special_kokkos.h @@ -14,7 +14,7 @@ #ifndef LMP_MATH_SPECIAL_KOKKOS_H #define LMP_MATH_SPECIAL_KOKKOS_H -#include +#include #include "kokkos_type.h" namespace LAMMPS_NS { diff --git a/src/KOKKOS/neigh_bond_kokkos.cpp b/src/KOKKOS/neigh_bond_kokkos.cpp index 3ecc8b5e51..4dd39a1d38 100644 --- a/src/KOKKOS/neigh_bond_kokkos.cpp +++ b/src/KOKKOS/neigh_bond_kokkos.cpp @@ -28,7 +28,7 @@ #include "error.h" #include "modify.h" #include "fix.h" -#include +#include #include "atom_masks.h" #include "domain.h" diff --git a/src/KOKKOS/neighbor_kokkos.h b/src/KOKKOS/neighbor_kokkos.h index 137c071e87..5c98c4d26d 100644 --- a/src/KOKKOS/neighbor_kokkos.h +++ b/src/KOKKOS/neighbor_kokkos.h @@ -18,7 +18,7 @@ #include "neigh_list_kokkos.h" #include "neigh_bond_kokkos.h" #include "kokkos_type.h" -#include +#include namespace LAMMPS_NS { diff --git a/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp b/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp index ba3eda64dd..9c12d2c978 100644 --- a/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp +++ b/src/KOKKOS/pair_buck_coul_cut_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_cut_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.cpp b/src/KOKKOS/pair_buck_coul_long_kokkos.cpp index 19af349a63..4978d3d7fc 100644 --- a/src/KOKKOS/pair_buck_coul_long_kokkos.cpp +++ b/src/KOKKOS/pair_buck_coul_long_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_long_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_buck_kokkos.cpp b/src/KOKKOS/pair_buck_kokkos.cpp index fcf14533dc..8785700186 100644 --- a/src/KOKKOS/pair_buck_kokkos.cpp +++ b/src/KOKKOS/pair_buck_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_coul_cut_kokkos.cpp b/src/KOKKOS/pair_coul_cut_kokkos.cpp index e20e243c09..b6e36d4f0d 100644 --- a/src/KOKKOS/pair_coul_cut_kokkos.cpp +++ b/src/KOKKOS/pair_coul_cut_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_cut_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_coul_debye_kokkos.cpp b/src/KOKKOS/pair_coul_debye_kokkos.cpp index 729b24ff29..5d15be7d76 100644 --- a/src/KOKKOS/pair_coul_debye_kokkos.cpp +++ b/src/KOKKOS/pair_coul_debye_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_debye_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_coul_dsf_kokkos.cpp b/src/KOKKOS/pair_coul_dsf_kokkos.cpp index f77e63bbf0..a714f665f7 100644 --- a/src/KOKKOS/pair_coul_dsf_kokkos.cpp +++ b/src/KOKKOS/pair_coul_dsf_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_dsf_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_coul_long_kokkos.cpp b/src/KOKKOS/pair_coul_long_kokkos.cpp index f2ade3f367..1e8c6c5f4e 100644 --- a/src/KOKKOS/pair_coul_long_kokkos.cpp +++ b/src/KOKKOS/pair_coul_long_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_long_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_coul_wolf_kokkos.cpp b/src/KOKKOS/pair_coul_wolf_kokkos.cpp index 0f3e9b9429..2bff824c3d 100644 --- a/src/KOKKOS/pair_coul_wolf_kokkos.cpp +++ b/src/KOKKOS/pair_coul_wolf_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_wolf_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp index 7d71719e0a..2f08d75253 100644 --- a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "atom_kokkos.h" #include "atom_vec.h" #include "comm.h" diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index f263cbb6d9..f21ea2335d 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "kokkos.h" #include "pair_kokkos.h" #include "pair_eam_alloy_kokkos.h" diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.h b/src/KOKKOS/pair_eam_alloy_kokkos.h index a962f55908..5848399672 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.h +++ b/src/KOKKOS/pair_eam_alloy_kokkos.h @@ -23,7 +23,7 @@ PairStyle(eam/alloy/kk/host,PairEAMAlloyKokkos) #ifndef LMP_PAIR_EAM_ALLOY_KOKKOS_H #define LMP_PAIR_EAM_ALLOY_KOKKOS_H -#include +#include #include "kokkos_base.h" #include "pair_kokkos.h" #include "pair_eam.h" diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index 05ec1a644b..627b56b84a 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "kokkos.h" #include "pair_kokkos.h" #include "pair_eam_fs_kokkos.h" diff --git a/src/KOKKOS/pair_eam_fs_kokkos.h b/src/KOKKOS/pair_eam_fs_kokkos.h index ec87e44ece..ce0b572ea2 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.h +++ b/src/KOKKOS/pair_eam_fs_kokkos.h @@ -23,7 +23,7 @@ PairStyle(eam/fs/kk/host,PairEAMFSKokkos) #ifndef LMP_PAIR_EAM_FS_KOKKOS_H #define LMP_PAIR_EAM_FS_KOKKOS_H -#include +#include #include "kokkos_base.h" #include "pair_kokkos.h" #include "pair_eam.h" diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index ffa65acb87..1bfb8255dc 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (SNL), Christian Trott (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "kokkos.h" #include "pair_kokkos.h" #include "pair_eam_kokkos.h" diff --git a/src/KOKKOS/pair_eam_kokkos.h b/src/KOKKOS/pair_eam_kokkos.h index 34a4795ec5..c821750da5 100644 --- a/src/KOKKOS/pair_eam_kokkos.h +++ b/src/KOKKOS/pair_eam_kokkos.h @@ -23,7 +23,7 @@ PairStyle(eam/kk/host,PairEAMKokkos) #ifndef LMP_PAIR_EAM_KOKKOS_H #define LMP_PAIR_EAM_KOKKOS_H -#include +#include #include "kokkos_base.h" #include "pair_kokkos.h" #include "pair_eam.h" diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.cpp b/src/KOKKOS/pair_exp6_rx_kokkos.cpp index 65b36635a3..160128ad83 100644 --- a/src/KOKKOS/pair_exp6_rx_kokkos.cpp +++ b/src/KOKKOS/pair_exp6_rx_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_exp6_rx_kokkos.h" #include "atom.h" #include "comm.h" @@ -30,7 +30,7 @@ #include "error.h" #include "modify.h" #include "fix.h" -#include +#include #include "atom_masks.h" #include "neigh_request.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_hybrid_kokkos.cpp b/src/KOKKOS/pair_hybrid_kokkos.cpp index db757f6ce1..03ad77c34a 100644 --- a/src/KOKKOS/pair_hybrid_kokkos.cpp +++ b/src/KOKKOS/pair_hybrid_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_hybrid_kokkos.h" #include "atom_kokkos.h" #include "force.h" diff --git a/src/KOKKOS/pair_hybrid_kokkos.h b/src/KOKKOS/pair_hybrid_kokkos.h index 62d325925b..94e034f875 100644 --- a/src/KOKKOS/pair_hybrid_kokkos.h +++ b/src/KOKKOS/pair_hybrid_kokkos.h @@ -20,7 +20,7 @@ PairStyle(hybrid/kk,PairHybridKokkos) #ifndef LMP_PAIR_HYBRID_KOKKOS_H #define LMP_PAIR_HYBRID_KOKKOS_H -#include +#include #include "pair_hybrid.h" #include "pair_kokkos.h" #include "kokkos_type.h" diff --git a/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp b/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp index aa5d895155..a2c3edab65 100644 --- a/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp +++ b/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_hybrid_overlay_kokkos.h" #include "atom.h" #include "force.h" diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp index 70f0c3e00a..d0d290d1f1 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_charmm_implicit_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp index 0316b65aed..2203dfa2a0 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_charmm_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp index 4d27373824..e1ecfbac3c 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp +++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_long_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp index 3f355b1b16..abd0183e21 100644 --- a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp +++ b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_class2_coul_cut_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp index 47976ec610..5f850689d4 100644 --- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp +++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_class2_coul_long_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_class2_kokkos.cpp b/src/KOKKOS/pair_lj_class2_kokkos.cpp index 5beb520c00..063753f1f8 100644 --- a/src/KOKKOS/pair_lj_class2_kokkos.cpp +++ b/src/KOKKOS/pair_lj_class2_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_class2_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp index 86e37bea77..a2067f8cf9 100644 --- a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp +++ b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_cut_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp index 76e488c686..277f1f658c 100644 --- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp +++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_debye_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp index b64d9fa31a..165bd97276 100644 --- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp +++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_dsf_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp index 77a604534e..d02e83eb11 100644 --- a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp +++ b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_long_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_cut_kokkos.cpp b/src/KOKKOS/pair_lj_cut_kokkos.cpp index 2a228fb168..daaab8d29e 100644 --- a/src/KOKKOS/pair_lj_cut_kokkos.cpp +++ b/src/KOKKOS/pair_lj_cut_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_expand_kokkos.cpp b/src/KOKKOS/pair_lj_expand_kokkos.cpp index aca7202b78..55c8b200ef 100644 --- a/src/KOKKOS/pair_lj_expand_kokkos.cpp +++ b/src/KOKKOS/pair_lj_expand_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_expand_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp index 1cc8d9b3e2..b7fb5acccb 100644 --- a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp +++ b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_gromacs_coul_gromacs_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_gromacs_kokkos.cpp b/src/KOKKOS/pair_lj_gromacs_kokkos.cpp index f0ad935769..5d2725ccdd 100644 --- a/src/KOKKOS/pair_lj_gromacs_kokkos.cpp +++ b/src/KOKKOS/pair_lj_gromacs_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_gromacs_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_lj_sdk_kokkos.cpp b/src/KOKKOS/pair_lj_sdk_kokkos.cpp index aa579d5dc1..8f719582fa 100644 --- a/src/KOKKOS/pair_lj_sdk_kokkos.cpp +++ b/src/KOKKOS/pair_lj_sdk_kokkos.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sdk_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_morse_kokkos.cpp b/src/KOKKOS/pair_morse_kokkos.cpp index dd555b6eb9..97c5f9be84 100644 --- a/src/KOKKOS/pair_morse_kokkos.cpp +++ b/src/KOKKOS/pair_morse_kokkos.cpp @@ -15,10 +15,10 @@ Contributing authors: Stefan Paquay (Eindhoven University of Technology) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_morse_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp index 7cb869a8a5..a6af26cb0f 100644 --- a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp +++ b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp @@ -22,10 +22,10 @@ ------------------------------------------------------------------------------------------- */ #include -#include +#include #include "math_const.h" -#include -#include +#include +#include #include "pair_multi_lucy_rx_kokkos.h" #include "atom_kokkos.h" #include "force.h" diff --git a/src/KOKKOS/pair_reaxc_kokkos.cpp b/src/KOKKOS/pair_reaxc_kokkos.cpp index 9352d8367c..bb9f8ab417 100644 --- a/src/KOKKOS/pair_reaxc_kokkos.cpp +++ b/src/KOKKOS/pair_reaxc_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL), Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_reaxc_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_reaxc_kokkos.h b/src/KOKKOS/pair_reaxc_kokkos.h index e69b80c2a7..5175e274a8 100644 --- a/src/KOKKOS/pair_reaxc_kokkos.h +++ b/src/KOKKOS/pair_reaxc_kokkos.h @@ -23,7 +23,7 @@ PairStyle(reax/c/kk/host,PairReaxCKokkos) #ifndef LMP_PAIR_REAXC_KOKKOS_H #define LMP_PAIR_REAXC_KOKKOS_H -#include +#include #include "pair_kokkos.h" #include "pair_reaxc.h" #include "neigh_list_kokkos.h" diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index d79cfef24b..a024e5cbd1 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -15,9 +15,9 @@ Contributing authors: Christian Trott (SNL), Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_snap_kokkos.h" #include "atom_kokkos.h" #include "error.h" diff --git a/src/KOKKOS/pair_sw_kokkos.cpp b/src/KOKKOS/pair_sw_kokkos.cpp index a19e2fc271..8f4903c767 100644 --- a/src/KOKKOS/pair_sw_kokkos.cpp +++ b/src/KOKKOS/pair_sw_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_sw_kokkos.h" #include "kokkos.h" #include "pair_kokkos.h" diff --git a/src/KOKKOS/pair_table_kokkos.cpp b/src/KOKKOS/pair_table_kokkos.cpp index e3e4ee01f3..7b06f814bb 100644 --- a/src/KOKKOS/pair_table_kokkos.cpp +++ b/src/KOKKOS/pair_table_kokkos.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "pair_table_kokkos.h" #include "kokkos.h" #include "atom.h" diff --git a/src/KOKKOS/pair_table_rx_kokkos.cpp b/src/KOKKOS/pair_table_rx_kokkos.cpp index 0b1e0ee9e6..30ca54986b 100644 --- a/src/KOKKOS/pair_table_rx_kokkos.cpp +++ b/src/KOKKOS/pair_table_rx_kokkos.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "pair_table_rx_kokkos.h" #include "kokkos.h" #include "atom.h" diff --git a/src/KOKKOS/pair_tersoff_kokkos.cpp b/src/KOKKOS/pair_tersoff_kokkos.cpp index 1fb97f913f..cb4def2d37 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) and Christian Trott (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_tersoff_kokkos.h b/src/KOKKOS/pair_tersoff_kokkos.h index f40d28b72b..2dac2c5991 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.h +++ b/src/KOKKOS/pair_tersoff_kokkos.h @@ -23,7 +23,7 @@ PairStyle(tersoff/kk/host,PairTersoffKokkos) #ifndef LMP_PAIR_TERSOFF_KOKKOS_H #define LMP_PAIR_TERSOFF_KOKKOS_H -#include +#include #include "pair_kokkos.h" #include "pair_tersoff.h" #include "neigh_list_kokkos.h" diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp index a30e1229f2..0d150f83e4 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_mod_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.h b/src/KOKKOS/pair_tersoff_mod_kokkos.h index c9995b2904..dd5efb50f1 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.h +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.h @@ -23,7 +23,7 @@ PairStyle(tersoff/mod/kk/host,PairTersoffMODKokkos) #ifndef LMP_PAIR_TERSOFF_MOD_KOKKOS_H #define LMP_PAIR_TERSOFF_MOD_KOKKOS_H -#include +#include #include "pair_kokkos.h" #include "pair_tersoff_mod.h" #include "neigh_list_kokkos.h" diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp index aeefbf67f6..2fb9675db6 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_zbl_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.h b/src/KOKKOS/pair_tersoff_zbl_kokkos.h index 92239532be..45982bd420 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.h +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.h @@ -23,7 +23,7 @@ PairStyle(tersoff/zbl/kk/host,PairTersoffZBLKokkos) #ifndef LMP_PAIR_TERSOFF_ZBL_KOKKOS_H #define LMP_PAIR_TERSOFF_ZBL_KOKKOS_H -#include +#include #include "pair_kokkos.h" #include "pair_tersoff_zbl.h" #include "neigh_list_kokkos.h" diff --git a/src/KOKKOS/pair_vashishta_kokkos.cpp b/src/KOKKOS/pair_vashishta_kokkos.cpp index 2e4989356e..3d4bd22a3c 100644 --- a/src/KOKKOS/pair_vashishta_kokkos.cpp +++ b/src/KOKKOS/pair_vashishta_kokkos.cpp @@ -15,10 +15,10 @@ Contributing author: Anders Hafreager (UiO), andershaf@gmail.com ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_vashishta_kokkos.h" #include "kokkos.h" #include "pair_kokkos.h" diff --git a/src/KOKKOS/pair_yukawa_kokkos.cpp b/src/KOKKOS/pair_yukawa_kokkos.cpp index 6560ec9684..8fc2fda120 100644 --- a/src/KOKKOS/pair_yukawa_kokkos.cpp +++ b/src/KOKKOS/pair_yukawa_kokkos.cpp @@ -14,8 +14,8 @@ /* ---------------------------------------------------------------------- Contributing authors: Stefan Paquay (Brandeis University) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_yukawa_kokkos.h" #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_zbl_kokkos.cpp b/src/KOKKOS/pair_zbl_kokkos.cpp index 0ed9e62dff..f57d5eaad0 100644 --- a/src/KOKKOS/pair_zbl_kokkos.cpp +++ b/src/KOKKOS/pair_zbl_kokkos.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_zbl_kokkos.h" #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/pppm_kokkos.cpp b/src/KOKKOS/pppm_kokkos.cpp index a28e462044..13683d148f 100644 --- a/src/KOKKOS/pppm_kokkos.cpp +++ b/src/KOKKOS/pppm_kokkos.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pppm_kokkos.h" #include "atom_kokkos.h" #include "comm.h" @@ -1579,7 +1579,7 @@ void PPPMKokkos::particle_map() k_flag.template modify(); k_flag.template sync(); - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); copymode = 1; diff --git a/src/KOKKOS/region_block_kokkos.cpp b/src/KOKKOS/region_block_kokkos.cpp index eed4272f23..8ff6e8937d 100644 --- a/src/KOKKOS/region_block_kokkos.cpp +++ b/src/KOKKOS/region_block_kokkos.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "region_block_kokkos.h" #include "domain.h" #include "force.h" diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h index ccc4010f68..25561fef5d 100644 --- a/src/KOKKOS/sna_kokkos_impl.h +++ b/src/KOKKOS/sna_kokkos_impl.h @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "sna_kokkos.h" -#include -#include -#include +#include +#include +#include using namespace LAMMPS_NS; diff --git a/src/KOKKOS/verlet_kokkos.cpp b/src/KOKKOS/verlet_kokkos.cpp index fe11e6b3fa..136e543a2c 100644 --- a/src/KOKKOS/verlet_kokkos.cpp +++ b/src/KOKKOS/verlet_kokkos.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "verlet_kokkos.h" #include "neighbor.h" #include "domain.h" diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp index 766520172b..0ced09eb93 100644 --- a/src/KSPACE/ewald.cpp +++ b/src/KSPACE/ewald.cpp @@ -19,10 +19,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "ewald.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp index e0424b0d93..fb48edc117 100644 --- a/src/KSPACE/ewald_disp.cpp +++ b/src/KSPACE/ewald_disp.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "ewald_disp.h" #include "math_vector.h" #include "math_const.h" diff --git a/src/KSPACE/fft3d.cpp b/src/KSPACE/fft3d.cpp index 2a0d85bac6..6da7f197ee 100644 --- a/src/KSPACE/fft3d.cpp +++ b/src/KSPACE/fft3d.cpp @@ -20,9 +20,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fft3d.h" #include "remap.h" diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp index 5ce867778d..399e551b57 100644 --- a/src/KSPACE/fix_tune_kspace.cpp +++ b/src/KSPACE/fix_tune_kspace.cpp @@ -15,8 +15,8 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_tune_kspace.h" #include "update.h" #include "domain.h" diff --git a/src/KSPACE/fix_tune_kspace.h b/src/KSPACE/fix_tune_kspace.h index 3311bd1d43..6f40fc8711 100644 --- a/src/KSPACE/fix_tune_kspace.h +++ b/src/KSPACE/fix_tune_kspace.h @@ -20,7 +20,7 @@ FixStyle(tune/kspace,FixTuneKspace) #ifndef LMP_FIX_TUNE_KSPACE_H #define LMP_FIX_TUNE_KSPACE_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/KSPACE/kissfft.h b/src/KSPACE/kissfft.h index ec6ef97fea..4e15f494a9 100644 --- a/src/KSPACE/kissfft.h +++ b/src/KSPACE/kissfft.h @@ -16,9 +16,9 @@ #ifndef LMP_FFT_KISSFFT #define LMP_FFT_KISSFFT -#include -#include -#include +#include +#include +#include #if defined(_OPENMP) #include diff --git a/src/KSPACE/msm.cpp b/src/KSPACE/msm.cpp index c151095a67..cc1ea027ee 100644 --- a/src/KSPACE/msm.cpp +++ b/src/KSPACE/msm.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "msm.h" #include "atom.h" #include "comm.h" @@ -1442,7 +1442,7 @@ void MSM::particle_map() int flag = 0; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); for (int i = 0; i < nlocal; i++) { diff --git a/src/KSPACE/msm_cg.cpp b/src/KSPACE/msm_cg.cpp index 3354593ec8..3ae3d62725 100644 --- a/src/KSPACE/msm_cg.cpp +++ b/src/KSPACE/msm_cg.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "atom.h" #include "gridcomm.h" #include "domain.h" @@ -314,7 +314,7 @@ void MSMCG::particle_map() int flag = 0; int i; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); for (int j = 0; j < num_charged; j++) { diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index 479128ef2b..d55a5a3afe 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -15,10 +15,10 @@ Contributing author: Ahmed Ismail (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_born_coul_msm.cpp b/src/KSPACE/pair_born_coul_msm.cpp index 6ed120cdc5..775d26df95 100644 --- a/src/KSPACE/pair_born_coul_msm.cpp +++ b/src/KSPACE/pair_born_coul_msm.cpp @@ -15,10 +15,10 @@ Contributing author: Stan Moore (SNL), Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_msm.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp index 95496409b9..a37e4ab4e9 100644 --- a/src/KSPACE/pair_buck_coul_long.cpp +++ b/src/KSPACE/pair_buck_coul_long.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_buck_coul_msm.cpp b/src/KSPACE/pair_buck_coul_msm.cpp index e33bdc839c..fc72f1a4d6 100644 --- a/src/KSPACE/pair_buck_coul_msm.cpp +++ b/src/KSPACE/pair_buck_coul_msm.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_msm.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 7781e24a5e..55825b5657 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -15,10 +15,10 @@ Contributing author: Pieter J. in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "math_vector.h" #include "pair_buck_long_coul_long.h" #include "atom.h" diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index 988694153a..4b10782ee6 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_coul_msm.cpp b/src/KSPACE/pair_coul_msm.cpp index 62daee9a13..f5cd9a0445 100644 --- a/src/KSPACE/pair_coul_msm.cpp +++ b/src/KSPACE/pair_coul_msm.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (SNL), Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_msm.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index daa493cef0..749d9657aa 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_lj_charmm_coul_msm.cpp b/src/KSPACE/pair_lj_charmm_coul_msm.cpp index 00617c0bf2..aecadcf127 100644 --- a/src/KSPACE/pair_lj_charmm_coul_msm.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_msm.cpp @@ -15,10 +15,10 @@ Contributing authors: Paul Crozier (SNL), Stan Moore (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_msm.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp index 4a37ddb81f..614980117e 100644 --- a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp @@ -19,10 +19,10 @@ additional assistance from Robert A. Latour, Clemson University ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmmfsw_coul_long.h" #include "atom.h" #include "update.h" diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp index 3096df2b01..c9530fe157 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_lj_cut_coul_msm.cpp b/src/KSPACE/pair_lj_cut_coul_msm.cpp index 9f901db9fc..78c364bd6a 100644 --- a/src/KSPACE/pair_lj_cut_coul_msm.cpp +++ b/src/KSPACE/pair_lj_cut_coul_msm.cpp @@ -15,10 +15,10 @@ Contributing authors: Stan Moore (SNL), Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_msm.h" #include "atom.h" #include "comm.h" diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.cpp b/src/KSPACE/pair_lj_cut_tip4p_long.cpp index 588d21ac66..d622a83b39 100644 --- a/src/KSPACE/pair_lj_cut_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_cut_tip4p_long.cpp @@ -16,10 +16,10 @@ simpler force assignment added by Rolf Isele-Holder (Aachen University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_tip4p_long.h" #include "angle.h" #include "atom.h" diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index f6f6ebd6a2..32d6d9e0a3 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -17,10 +17,10 @@ University New Orleans) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "math_vector.h" #include "pair_lj_long_coul_long.h" #include "atom.h" diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp index 6dd552c819..78316b9daa 100644 --- a/src/KSPACE/pair_lj_long_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp @@ -16,10 +16,10 @@ Rolf Isele-Holder (Aachen University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_long_tip4p_long.h" #include "angle.h" #include "atom.h" diff --git a/src/KSPACE/pair_tip4p_long.cpp b/src/KSPACE/pair_tip4p_long.cpp index 1dd57ce822..ac428d483a 100644 --- a/src/KSPACE/pair_tip4p_long.cpp +++ b/src/KSPACE/pair_tip4p_long.cpp @@ -16,10 +16,10 @@ simpler force assignment added by Rolf Isele-Holder (Aachen University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tip4p_long.h" #include "angle.h" #include "atom.h" diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index bc82dce532..132389b7d6 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -19,10 +19,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pppm.h" #include "atom.h" #include "comm.h" @@ -1913,7 +1913,7 @@ void PPPM::particle_map() int flag = 0; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); for (int i = 0; i < nlocal; i++) { diff --git a/src/KSPACE/pppm_cg.cpp b/src/KSPACE/pppm_cg.cpp index 9489224e03..ca7abc9b5a 100644 --- a/src/KSPACE/pppm_cg.cpp +++ b/src/KSPACE/pppm_cg.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "atom.h" #include "gridcomm.h" @@ -284,7 +284,7 @@ void PPPMCG::particle_map() double **x = atom->x; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int flag = 0; diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp index 3e764cc3e7..4fbc20c0fc 100644 --- a/src/KSPACE/pppm_disp.cpp +++ b/src/KSPACE/pppm_disp.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pppm_disp.h" #include "math_const.h" #include "atom.h" @@ -4278,7 +4278,7 @@ void PPPMDisp::particle_map(double delx, double dely, double delz, double **x = atom->x; int nlocal = atom->nlocal; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int flag = 0; diff --git a/src/KSPACE/pppm_disp_tip4p.cpp b/src/KSPACE/pppm_disp_tip4p.cpp index 686ed3df8e..1a25b300fc 100644 --- a/src/KSPACE/pppm_disp_tip4p.cpp +++ b/src/KSPACE/pppm_disp_tip4p.cpp @@ -16,7 +16,7 @@ Rolf Isele-Holder (Aachen University) ------------------------------------------------------------------------- */ -#include +#include #include "pppm_disp_tip4p.h" #include "pppm_disp.h" #include "atom.h" @@ -78,7 +78,7 @@ void PPPMDispTIP4P::particle_map_c(double delx, double dely, double delz, double **x = atom->x; int nlocal = atom->nlocal; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int flag = 0; diff --git a/src/KSPACE/pppm_stagger.cpp b/src/KSPACE/pppm_stagger.cpp index 49c84e58c0..6d3308a05b 100644 --- a/src/KSPACE/pppm_stagger.cpp +++ b/src/KSPACE/pppm_stagger.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pppm_stagger.h" #include "atom.h" #include "gridcomm.h" @@ -680,7 +680,7 @@ void PPPMStagger::particle_map() double **x = atom->x; int nlocal = atom->nlocal; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int flag = 0; diff --git a/src/KSPACE/pppm_tip4p.cpp b/src/KSPACE/pppm_tip4p.cpp index e807f7e2e9..08fc8c711c 100644 --- a/src/KSPACE/pppm_tip4p.cpp +++ b/src/KSPACE/pppm_tip4p.cpp @@ -15,7 +15,7 @@ Contributing authors: Amalie Frischknecht and Ahmed Ismail (SNL) ------------------------------------------------------------------------- */ -#include +#include #include "pppm_tip4p.h" #include "atom.h" #include "domain.h" @@ -73,7 +73,7 @@ void PPPMTIP4P::particle_map() double **x = atom->x; int nlocal = atom->nlocal; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int flag = 0; diff --git a/src/KSPACE/remap.cpp b/src/KSPACE/remap.cpp index 86522f3f2f..81dd692f4f 100644 --- a/src/KSPACE/remap.cpp +++ b/src/KSPACE/remap.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "remap.h" #define PACK_DATA FFT_SCALAR diff --git a/src/LATTE/fix_latte.cpp b/src/LATTE/fix_latte.cpp index 4594f26f8f..c2bfa1a5a1 100644 --- a/src/LATTE/fix_latte.cpp +++ b/src/LATTE/fix_latte.cpp @@ -15,8 +15,8 @@ Contributing author: Christian Negre (LANL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_latte.h" #include "atom.h" #include "comm.h" diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp index c0d36d8fac..b8d9c7e6df 100644 --- a/src/MANYBODY/fix_qeq_comb.cpp +++ b/src/MANYBODY/fix_qeq_comb.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "pair_comb.h" #include "pair_comb3.h" #include "fix_qeq_comb.h" diff --git a/src/MANYBODY/fix_qeq_comb.h b/src/MANYBODY/fix_qeq_comb.h index 384ea4bbcc..dd4c9f7290 100644 --- a/src/MANYBODY/fix_qeq_comb.h +++ b/src/MANYBODY/fix_qeq_comb.h @@ -20,7 +20,7 @@ FixStyle(qeq/comb,FixQEQComb) #ifndef LMP_FIX_QEQ_COMB_H #define LMP_FIX_QEQ_COMB_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 579675c4a0..d0b4d19758 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -16,10 +16,10 @@ Chandra Veer Singh (Cornell) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_adp.h" #include "atom.h" #include "force.h" diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index fd5691fecb..3be27354c1 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -20,10 +20,10 @@ Thomas C. O'Connor (JHU) 2014 ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include #include "pair_airebo.h" #include "atom.h" diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h index d9628f3bb3..c7c9b07357 100644 --- a/src/MANYBODY/pair_airebo.h +++ b/src/MANYBODY/pair_airebo.h @@ -22,7 +22,7 @@ PairStyle(airebo,PairAIREBO) #include "pair.h" #include "my_page.h" -#include +#include #include "math_const.h" namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index 04d7cd4153..87a23dff99 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -32,10 +32,10 @@ Rules"_http://lammps.sandia.gov/open_source.html ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include #include "pair_bop.h" #include "atom.h" @@ -49,7 +49,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h index ec6448db47..3bd9b8cea9 100644 --- a/src/MANYBODY/pair_bop.h +++ b/src/MANYBODY/pair_bop.h @@ -26,7 +26,7 @@ PairStyle(bop,PairBOP) #define LMP_PAIR_BOP_H #include "pair.h" -#include +#include #include "update.h" namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 5a2b4c2540..de686d4bcf 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -18,10 +18,10 @@ and Aidan Thompson's Tersoff code in LAMMPS ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_comb.h" #include "atom.h" #include "comm.h" diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 743511e753..e38a05c6ed 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -17,10 +17,10 @@ Dundar Yilmaz (dundar.yilmaz@zirve.edu.tr) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_comb3.h" #include "atom.h" #include "comm.h" diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 29a627e1d0..9e70b19eea 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -15,10 +15,10 @@ Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_eam.h" #include "atom.h" #include "force.h" diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h index 63fdde9fc5..234552157b 100644 --- a/src/MANYBODY/pair_eam.h +++ b/src/MANYBODY/pair_eam.h @@ -20,7 +20,7 @@ PairStyle(eam,PairEAM) #ifndef LMP_PAIR_EAM_H #define LMP_PAIR_EAM_H -#include +#include #include "pair.h" namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index e22b4642a8..eed38f79e9 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -15,9 +15,9 @@ Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_alloy.h" #include "atom.h" #include "comm.h" diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index 2817e13f8a..2b5d530d3a 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -15,9 +15,9 @@ Contributing authors: Tim Lau (MIT) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_fs.h" #include "atom.h" #include "comm.h" diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index e2d8a88aee..b810d444fc 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -15,10 +15,10 @@ Contributing author: Xiaowang Zhou (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_eim.h" #include "atom.h" #include "force.h" diff --git a/src/MANYBODY/pair_eim.h b/src/MANYBODY/pair_eim.h index 9b2d518a2a..50f9934c44 100644 --- a/src/MANYBODY/pair_eim.h +++ b/src/MANYBODY/pair_eim.h @@ -20,7 +20,7 @@ PairStyle(eim,PairEIM) #ifndef LMP_PAIR_EIM_H #define LMP_PAIR_EIM_H -#include +#include #include "pair.h" namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index 8befa42d1c..35f092b580 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -16,10 +16,10 @@ based on PairTersoff by Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gw.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index a4e1ccb1f9..81d4866e84 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -16,10 +16,10 @@ Based on PairTersoffZBL by Aidan Thompson (SNL) and David Farrell (NWU) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gw_zbl.h" #include "atom.h" #include "update.h" diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp index 414f2adb74..d334defcc6 100644 --- a/src/MANYBODY/pair_lcbop.cpp +++ b/src/MANYBODY/pair_lcbop.cpp @@ -16,10 +16,10 @@ based on pair_airebo by Ase Henry (MIT) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include #include "pair_lcbop.h" #include "atom.h" diff --git a/src/MANYBODY/pair_lcbop.h b/src/MANYBODY/pair_lcbop.h index c099c7c4a1..0d7c7a51b1 100644 --- a/src/MANYBODY/pair_lcbop.h +++ b/src/MANYBODY/pair_lcbop.h @@ -22,7 +22,7 @@ PairStyle(lcbop,PairLCBOP) #include "pair.h" #include "my_page.h" -#include +#include #include "math_const.h" namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index 0b930c7360..36be9c2b90 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -16,10 +16,10 @@ (based on Stillinger-Weber pair style) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_nb3b_harmonic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index 9ceceed076..2afb08b7a1 100644 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -16,10 +16,10 @@ This modifies from pair_tersoff.cpp by Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_polymorphic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h index 3b5407f802..32f1c5414a 100644 --- a/src/MANYBODY/pair_polymorphic.h +++ b/src/MANYBODY/pair_polymorphic.h @@ -21,7 +21,7 @@ PairStyle(polymorphic,PairPolymorphic) #define LMP_PAIR_POLYMORPHIC_H #include "pair.h" -#include +#include namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index da2f5da37e..6fbc00204c 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -15,10 +15,10 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_sw.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 047c59fc87..507b07e29a 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -15,10 +15,10 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index a90cf3bb77..73297fb534 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -16,10 +16,10 @@ Vitaly Dozhdikov (JIHT of RAS) - MOD addition ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_mod.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_tersoff_mod.h b/src/MANYBODY/pair_tersoff_mod.h index 42a3a2b26c..162603bc5c 100644 --- a/src/MANYBODY/pair_tersoff_mod.h +++ b/src/MANYBODY/pair_tersoff_mod.h @@ -21,7 +21,7 @@ PairStyle(tersoff/mod,PairTersoffMOD) #define LMP_PAIR_TERSOFF_MOD_H #include "pair_tersoff.h" -#include +#include namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index c0d6cb164a..0d0016664a 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -15,10 +15,10 @@ Contributing author: Ganga P Purja Pun (George Mason University, Fairfax) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_mod_c.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index 15163c2bf9..1692c88a50 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -16,10 +16,10 @@ David Farrell (NWU) - ZBL addition ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_zbl.h" #include "atom.h" #include "update.h" diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index bc594d9b4d..8506c9a69f 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -16,10 +16,10 @@ Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_vashishta.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_vashishta_table.cpp b/src/MANYBODY/pair_vashishta_table.cpp index 88a7040d76..1055db99fa 100644 --- a/src/MANYBODY/pair_vashishta_table.cpp +++ b/src/MANYBODY/pair_vashishta_table.cpp @@ -15,10 +15,10 @@ Contributing author: Anders Hafreager (UiO), andershaf@gmail.com ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_vashishta_table.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp index 100600c0da..4d9377022b 100644 --- a/src/MC/fix_atom_swap.cpp +++ b/src/MC/fix_atom_swap.cpp @@ -16,10 +16,10 @@ Alexander Stukowski ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_atom_swap.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MC/fix_atom_swap.h b/src/MC/fix_atom_swap.h index 74720d6222..19895704f1 100644 --- a/src/MC/fix_atom_swap.h +++ b/src/MC/fix_atom_swap.h @@ -20,7 +20,7 @@ FixStyle(atom/swap,FixAtomSwap) #ifndef LMP_FIX_MCSWAP_H #define LMP_FIX_MCSWAP_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp index 711f764282..9a5b59b601 100644 --- a/src/MC/fix_bond_break.cpp +++ b/src/MC/fix_bond_break.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include -#include -#include +#include +#include #include "fix_bond_break.h" #include "update.h" #include "respa.h" diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index 789f1794f1..8e9db6a18b 100644 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include -#include -#include +#include +#include #include "fix_bond_create.h" #include "update.h" #include "respa.h" diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp index d5b7394dd1..d6df4d9a96 100644 --- a/src/MC/fix_bond_swap.cpp +++ b/src/MC/fix_bond_swap.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_bond_swap.h" #include "atom.h" #include "force.h" diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index f2c41c9ccf..08fe7de5cb 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Crozier, Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_gcmc.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h index e8de53215f..5d0b7aab8f 100644 --- a/src/MC/fix_gcmc.h +++ b/src/MC/fix_gcmc.h @@ -20,7 +20,7 @@ FixStyle(gcmc,FixGCMC) #ifndef LMP_FIX_GCMC_H #define LMP_FIX_GCMC_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/MC/fix_tfmc.cpp b/src/MC/fix_tfmc.cpp index 60ded5fd44..b821710353 100644 --- a/src/MC/fix_tfmc.cpp +++ b/src/MC/fix_tfmc.cpp @@ -17,9 +17,9 @@ #include "fix_tfmc.h" #include -#include -#include -#include +#include +#include +#include #include "atom.h" #include "force.h" #include "update.h" diff --git a/src/MC/pair_dsmc.cpp b/src/MC/pair_dsmc.cpp index d3327eea29..02f9754c2a 100644 --- a/src/MC/pair_dsmc.cpp +++ b/src/MC/pair_dsmc.cpp @@ -15,10 +15,11 @@ Contributing authors: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "pair_dsmc.h" #include "atom.h" #include "comm.h" @@ -28,7 +29,6 @@ #include "domain.h" #include "update.h" #include "random_mars.h" -#include using namespace LAMMPS_NS; diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index fa47944cd5..687055aa6a 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -15,10 +15,10 @@ Contributing author: Greg Wagner (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_meam.h" #include "atom.h" #include "force.h" diff --git a/src/MISC/compute_msd_nongauss.cpp b/src/MISC/compute_msd_nongauss.cpp index 4639fa7916..f6291f4204 100644 --- a/src/MISC/compute_msd_nongauss.cpp +++ b/src/MISC/compute_msd_nongauss.cpp @@ -15,7 +15,7 @@ Contributing authors: Rob Hoy ------------------------------------------------------------------------- */ -#include +#include #include "compute_msd_nongauss.h" #include "atom.h" #include "update.h" diff --git a/src/MISC/compute_ti.cpp b/src/MISC/compute_ti.cpp index 9f1b2898bb..d2e43a9f69 100644 --- a/src/MISC/compute_ti.cpp +++ b/src/MISC/compute_ti.cpp @@ -17,7 +17,7 @@ #include #include "atom.h" -#include +#include #include "compute_ti.h" #include "update.h" #include "modify.h" diff --git a/src/MISC/dump_xtc.cpp b/src/MISC/dump_xtc.cpp index 674e480f9e..a82cba20bd 100644 --- a/src/MISC/dump_xtc.cpp +++ b/src/MISC/dump_xtc.cpp @@ -22,11 +22,11 @@ support for groups ------------------------------------------------------------------------- */ -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "dump_xtc.h" #include "domain.h" #include "atom.h" diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp index 023ec797df..4215df07a6 100644 --- a/src/MISC/fix_deposit.cpp +++ b/src/MISC/fix_deposit.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_deposit.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MISC/fix_deposit.h b/src/MISC/fix_deposit.h index 46de781d89..38958b80e7 100644 --- a/src/MISC/fix_deposit.h +++ b/src/MISC/fix_deposit.h @@ -20,7 +20,7 @@ FixStyle(deposit,FixDeposit) #ifndef LMP_FIX_DEPOSIT_H #define LMP_FIX_DEPOSIT_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/MISC/fix_efield.cpp b/src/MISC/fix_efield.cpp index c0384adc41..1fa141e2bf 100644 --- a/src/MISC/fix_efield.cpp +++ b/src/MISC/fix_efield.cpp @@ -16,9 +16,9 @@ Stan Moore (Sandia) for dipole terms ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_efield.h" #include "atom.h" #include "update.h" diff --git a/src/MISC/fix_evaporate.cpp b/src/MISC/fix_evaporate.cpp index 54d1090892..1bf7a15f1f 100644 --- a/src/MISC/fix_evaporate.cpp +++ b/src/MISC/fix_evaporate.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_evaporate.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MISC/fix_gld.cpp b/src/MISC/fix_gld.cpp index 90579388cc..370730133e 100644 --- a/src/MISC/fix_gld.cpp +++ b/src/MISC/fix_gld.cpp @@ -16,9 +16,9 @@ Andrew Baczewski (Michigan State/SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_gld.h" #include "math_extra.h" #include "atom.h" diff --git a/src/MISC/fix_oneway.cpp b/src/MISC/fix_oneway.cpp index 758beed553..73853775a3 100644 --- a/src/MISC/fix_oneway.cpp +++ b/src/MISC/fix_oneway.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (ICTP, Italy) ------------------------------------------------------------------------- */ -#include +#include #include "fix_oneway.h" #include "atom.h" #include "domain.h" diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp index 0cb0f96aa8..c5ba6514a9 100644 --- a/src/MISC/fix_orient_bcc.cpp +++ b/src/MISC/fix_orient_bcc.cpp @@ -18,9 +18,9 @@ (https://dx.doi.org/10.6084/m9.figshare.1488628.v1 ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include #include "fix_orient_bcc.h" #include "atom.h" diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp index 6743132cfa..5786571a89 100644 --- a/src/MISC/fix_orient_fcc.cpp +++ b/src/MISC/fix_orient_fcc.cpp @@ -15,9 +15,9 @@ Contributing authors: Koenraad Janssens and David Olmsted (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include #include "fix_orient_fcc.h" #include "atom.h" diff --git a/src/MISC/fix_thermal_conductivity.cpp b/src/MISC/fix_thermal_conductivity.cpp index b9e70e9c00..f1aec3ff69 100644 --- a/src/MISC/fix_thermal_conductivity.cpp +++ b/src/MISC/fix_thermal_conductivity.cpp @@ -16,10 +16,10 @@ for swapping atoms of different masses ------------------------------------------------------------------------- */ -#include +#include #include -#include -#include +#include +#include #include "fix_thermal_conductivity.h" #include "atom.h" #include "force.h" diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp index bb13b166fb..7ffd979e50 100644 --- a/src/MISC/fix_ttm.cpp +++ b/src/MISC/fix_ttm.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_ttm.h" #include "atom.h" #include "force.h" diff --git a/src/MISC/fix_viscosity.cpp b/src/MISC/fix_viscosity.cpp index 3f6d5e33d1..8e33c1c614 100644 --- a/src/MISC/fix_viscosity.cpp +++ b/src/MISC/fix_viscosity.cpp @@ -16,10 +16,10 @@ for swapping atoms of different masses ------------------------------------------------------------------------- */ -#include +#include #include -#include -#include +#include +#include #include "fix_viscosity.h" #include "atom.h" #include "domain.h" diff --git a/src/MISC/pair_nm_cut.cpp b/src/MISC/pair_nm_cut.cpp index b9bf6ac477..83d734de0f 100644 --- a/src/MISC/pair_nm_cut.cpp +++ b/src/MISC/pair_nm_cut.cpp @@ -15,10 +15,10 @@ Contributing Author: Julien Devemy (ICCF) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_nm_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp index 78c77a648f..0c9a43f4dc 100644 --- a/src/MISC/pair_nm_cut_coul_cut.cpp +++ b/src/MISC/pair_nm_cut_coul_cut.cpp @@ -15,10 +15,10 @@ Contributing Author: Julien Devemy (ICCF) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_nm_cut_coul_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp index 8e0da40eac..3296f8fd92 100644 --- a/src/MISC/pair_nm_cut_coul_long.cpp +++ b/src/MISC/pair_nm_cut_coul_long.cpp @@ -15,10 +15,10 @@ Contributing Author: Julien Devemy (ICCF) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_nm_cut_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/MISC/xdr_compat.cpp b/src/MISC/xdr_compat.cpp index 9483070fee..3987aa02fc 100644 --- a/src/MISC/xdr_compat.cpp +++ b/src/MISC/xdr_compat.cpp @@ -1,6 +1,6 @@ -#include -#include -#include +#include +#include +#include #include "xdr_compat.h" /* This file is needed for systems, that do not provide XDR support diff --git a/src/MISC/xdr_compat.h b/src/MISC/xdr_compat.h index 605374c47f..3062235080 100644 --- a/src/MISC/xdr_compat.h +++ b/src/MISC/xdr_compat.h @@ -1,9 +1,9 @@ #ifndef LMP_XDR_COMPAT_H #define LMP_XDR_COMPAT_H -#include -#include -#include +#include +#include +#include #ifdef __cplusplus extern "C" { diff --git a/src/MOLECULE/angle_charmm.cpp b/src/MOLECULE/angle_charmm.cpp index c7284add8c..3608601c1f 100644 --- a/src/MOLECULE/angle_charmm.cpp +++ b/src/MOLECULE/angle_charmm.cpp @@ -15,8 +15,8 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_charmm.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/angle_charmm.h b/src/MOLECULE/angle_charmm.h index fa27866be3..82c9e42fba 100644 --- a/src/MOLECULE/angle_charmm.h +++ b/src/MOLECULE/angle_charmm.h @@ -20,7 +20,7 @@ AngleStyle(charmm,AngleCharmm) #ifndef LMP_ANGLE_CHARMM_H #define LMP_ANGLE_CHARMM_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/angle_cosine.cpp b/src/MOLECULE/angle_cosine.cpp index f064a34f20..e3472dfd7a 100644 --- a/src/MOLECULE/angle_cosine.cpp +++ b/src/MOLECULE/angle_cosine.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/angle_cosine.h b/src/MOLECULE/angle_cosine.h index a6581f11bd..ac50a67468 100644 --- a/src/MOLECULE/angle_cosine.h +++ b/src/MOLECULE/angle_cosine.h @@ -20,7 +20,7 @@ AngleStyle(cosine,AngleCosine) #ifndef LMP_ANGLE_COSINE_H #define LMP_ANGLE_COSINE_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/angle_cosine_delta.cpp b/src/MOLECULE/angle_cosine_delta.cpp index fe482eb3eb..6f4f5c20d7 100644 --- a/src/MOLECULE/angle_cosine_delta.cpp +++ b/src/MOLECULE/angle_cosine_delta.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U), akohlmey at gmail.com ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine_delta.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/angle_cosine_delta.h b/src/MOLECULE/angle_cosine_delta.h index b29064e35e..1e19ecaf79 100644 --- a/src/MOLECULE/angle_cosine_delta.h +++ b/src/MOLECULE/angle_cosine_delta.h @@ -20,7 +20,7 @@ AngleStyle(cosine/delta,AngleCosineDelta) #ifndef LMP_ANGLE_COSINE_DELTA_H #define LMP_ANGLE_COSINE_DELTA_H -#include +#include #include "angle_cosine_squared.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/angle_cosine_periodic.cpp b/src/MOLECULE/angle_cosine_periodic.cpp index 77fb335b78..4e620b436e 100644 --- a/src/MOLECULE/angle_cosine_periodic.cpp +++ b/src/MOLECULE/angle_cosine_periodic.cpp @@ -15,8 +15,8 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine_periodic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/angle_cosine_periodic.h b/src/MOLECULE/angle_cosine_periodic.h index 9b7f062272..e131e85101 100644 --- a/src/MOLECULE/angle_cosine_periodic.h +++ b/src/MOLECULE/angle_cosine_periodic.h @@ -20,7 +20,7 @@ AngleStyle(cosine/periodic, AngleCosinePeriodic) #ifndef LMP_ANGLE_PERIODIC_H #define LMP_ANGLE_PERIODIC_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/angle_cosine_squared.cpp b/src/MOLECULE/angle_cosine_squared.cpp index bc38d76dcd..c261f3482d 100644 --- a/src/MOLECULE/angle_cosine_squared.cpp +++ b/src/MOLECULE/angle_cosine_squared.cpp @@ -15,8 +15,8 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine_squared.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/angle_cosine_squared.h b/src/MOLECULE/angle_cosine_squared.h index b9f79f923f..8e8c84c0f9 100644 --- a/src/MOLECULE/angle_cosine_squared.h +++ b/src/MOLECULE/angle_cosine_squared.h @@ -20,7 +20,7 @@ AngleStyle(cosine/squared,AngleCosineSquared) #ifndef LMP_ANGLE_COSINE_SQUARED_H #define LMP_ANGLE_COSINE_SQUARED_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/angle_harmonic.cpp b/src/MOLECULE/angle_harmonic.cpp index 7e8b57b04f..c7fe8d7a1f 100644 --- a/src/MOLECULE/angle_harmonic.cpp +++ b/src/MOLECULE/angle_harmonic.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_harmonic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/angle_harmonic.h b/src/MOLECULE/angle_harmonic.h index 177e7cbadb..ff8bd55fc0 100644 --- a/src/MOLECULE/angle_harmonic.h +++ b/src/MOLECULE/angle_harmonic.h @@ -20,7 +20,7 @@ AngleStyle(harmonic,AngleHarmonic) #ifndef LMP_ANGLE_HARMONIC_H #define LMP_ANGLE_HARMONIC_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp index 6e145efa10..235e9b4d5b 100644 --- a/src/MOLECULE/angle_table.cpp +++ b/src/MOLECULE/angle_table.cpp @@ -15,9 +15,9 @@ Contributing author: Chuanfu Luo (luochuanfu@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "angle_table.h" #include "atom.h" #include "neighbor.h" @@ -609,7 +609,7 @@ double AngleTable::splint(double *xa, double *ya, double *y2a, int n, double x) void AngleTable::uf_lookup(int type, double x, double &u, double &f) { - if (!ISFINITE(x)) { + if (!std::isfinite(x)) { error->one(FLERR,"Illegal angle in angle style table"); } @@ -644,7 +644,7 @@ void AngleTable::uf_lookup(int type, double x, double &u, double &f) void AngleTable::u_lookup(int type, double x, double &u) { - if (!ISFINITE(x)) { + if (!std::isfinite(x)) { error->one(FLERR,"Illegal angle in angle style table"); } diff --git a/src/MOLECULE/angle_table.h b/src/MOLECULE/angle_table.h index 984c5dc640..0088ace39b 100644 --- a/src/MOLECULE/angle_table.h +++ b/src/MOLECULE/angle_table.h @@ -20,7 +20,7 @@ AngleStyle(table,AngleTable) #ifndef LMP_ANGLE_TABLE_H #define LMP_ANGLE_TABLE_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/atom_vec_angle.cpp b/src/MOLECULE/atom_vec_angle.cpp index 7053f0eb30..6eb5b50fd2 100644 --- a/src/MOLECULE/atom_vec_angle.cpp +++ b/src/MOLECULE/atom_vec_angle.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_angle.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/atom_vec_bond.cpp b/src/MOLECULE/atom_vec_bond.cpp index bae924c28a..6a7b3585b4 100644 --- a/src/MOLECULE/atom_vec_bond.cpp +++ b/src/MOLECULE/atom_vec_bond.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_bond.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/atom_vec_full.cpp b/src/MOLECULE/atom_vec_full.cpp index ba85a1280b..d682abf799 100644 --- a/src/MOLECULE/atom_vec_full.cpp +++ b/src/MOLECULE/atom_vec_full.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_full.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/atom_vec_molecular.cpp b/src/MOLECULE/atom_vec_molecular.cpp index 23786d7641..6e903a936e 100644 --- a/src/MOLECULE/atom_vec_molecular.cpp +++ b/src/MOLECULE/atom_vec_molecular.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_molecular.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/atom_vec_template.cpp b/src/MOLECULE/atom_vec_template.cpp index 5d3b0a3264..3172804b95 100644 --- a/src/MOLECULE/atom_vec_template.cpp +++ b/src/MOLECULE/atom_vec_template.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_template.h" #include "atom.h" #include "molecule.h" diff --git a/src/MOLECULE/bond_fene.cpp b/src/MOLECULE/bond_fene.cpp index 5d58f2683a..b6da72bfaf 100644 --- a/src/MOLECULE/bond_fene.cpp +++ b/src/MOLECULE/bond_fene.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_fene.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h index 6124478567..678ae165d6 100644 --- a/src/MOLECULE/bond_fene.h +++ b/src/MOLECULE/bond_fene.h @@ -20,7 +20,7 @@ BondStyle(fene,BondFENE) #ifndef LMP_BOND_FENE_H #define LMP_BOND_FENE_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_fene_expand.cpp b/src/MOLECULE/bond_fene_expand.cpp index 033f8d6502..26b699d7bf 100644 --- a/src/MOLECULE/bond_fene_expand.cpp +++ b/src/MOLECULE/bond_fene_expand.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_fene_expand.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h index 1971c6f428..cb316ac5f2 100644 --- a/src/MOLECULE/bond_fene_expand.h +++ b/src/MOLECULE/bond_fene_expand.h @@ -20,7 +20,7 @@ BondStyle(fene/expand,BondFENEExpand) #ifndef LMP_BOND_FENE_EXPAND_H #define LMP_BOND_FENE_EXPAND_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_gromos.cpp b/src/MOLECULE/bond_gromos.cpp index 4e409b7a72..8e989259af 100644 --- a/src/MOLECULE/bond_gromos.cpp +++ b/src/MOLECULE/bond_gromos.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "bond_gromos.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_gromos.h b/src/MOLECULE/bond_gromos.h index dafe85e92b..c26ad64b3d 100644 --- a/src/MOLECULE/bond_gromos.h +++ b/src/MOLECULE/bond_gromos.h @@ -20,7 +20,7 @@ BondStyle(gromos,BondGromos) #ifndef LMP_BOND_GROMOS_H #define LMP_BOND_GROMOS_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_harmonic.cpp b/src/MOLECULE/bond_harmonic.cpp index 0763d7d3e2..e7f510d2de 100644 --- a/src/MOLECULE/bond_harmonic.cpp +++ b/src/MOLECULE/bond_harmonic.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "bond_harmonic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_harmonic.h b/src/MOLECULE/bond_harmonic.h index a0fd24577a..73f6a9f774 100644 --- a/src/MOLECULE/bond_harmonic.h +++ b/src/MOLECULE/bond_harmonic.h @@ -20,7 +20,7 @@ BondStyle(harmonic,BondHarmonic) #ifndef LMP_BOND_HARMONIC_H #define LMP_BOND_HARMONIC_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_morse.cpp b/src/MOLECULE/bond_morse.cpp index 3204a0ca61..35be50e8df 100644 --- a/src/MOLECULE/bond_morse.cpp +++ b/src/MOLECULE/bond_morse.cpp @@ -15,8 +15,8 @@ Contributing author: Jeff Greathouse (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_morse.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_morse.h b/src/MOLECULE/bond_morse.h index 74379c91ee..c4d60bc217 100644 --- a/src/MOLECULE/bond_morse.h +++ b/src/MOLECULE/bond_morse.h @@ -20,7 +20,7 @@ BondStyle(morse,BondMorse) #ifndef LMP_BOND_MORSE_H #define LMP_BOND_MORSE_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_nonlinear.cpp b/src/MOLECULE/bond_nonlinear.cpp index edd9dcd4e5..3926c3494b 100644 --- a/src/MOLECULE/bond_nonlinear.cpp +++ b/src/MOLECULE/bond_nonlinear.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_nonlinear.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_nonlinear.h b/src/MOLECULE/bond_nonlinear.h index 5d2448b112..175421264b 100644 --- a/src/MOLECULE/bond_nonlinear.h +++ b/src/MOLECULE/bond_nonlinear.h @@ -20,7 +20,7 @@ BondStyle(nonlinear,BondNonlinear) #ifndef LMP_BOND_NONLINEAR_H #define LMP_BOND_NONLINEAR_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_quartic.cpp b/src/MOLECULE/bond_quartic.cpp index 2a3e395a77..f581c7f331 100644 --- a/src/MOLECULE/bond_quartic.cpp +++ b/src/MOLECULE/bond_quartic.cpp @@ -15,8 +15,8 @@ Contributing authors: Chris Lorenz and Mark Stevens (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_quartic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/bond_quartic.h b/src/MOLECULE/bond_quartic.h index 21bd7f00b4..2aaa76e2c3 100644 --- a/src/MOLECULE/bond_quartic.h +++ b/src/MOLECULE/bond_quartic.h @@ -20,7 +20,7 @@ BondStyle(quartic,BondQuartic) #ifndef LMP_BOND_QUARTIC_H #define LMP_BOND_QUARTIC_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp index 4f8db66757..7515f713df 100644 --- a/src/MOLECULE/bond_table.cpp +++ b/src/MOLECULE/bond_table.cpp @@ -15,9 +15,9 @@ Contributing author: Chuanfu Luo (luochuanfu@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "bond_table.h" #include "atom.h" #include "neighbor.h" @@ -590,7 +590,7 @@ double BondTable::splint(double *xa, double *ya, double *y2a, int n, double x) void BondTable::uf_lookup(int type, double x, double &u, double &f) { - if (!ISFINITE(x)) { + if (!std::isfinite(x)) { error->one(FLERR,"Illegal bond in bond style table"); } @@ -633,7 +633,7 @@ void BondTable::uf_lookup(int type, double x, double &u, double &f) void BondTable::u_lookup(int type, double x, double &u) { - if (!ISFINITE(x)) { + if (!std::isfinite(x)) { error->one(FLERR,"Illegal bond in bond style table"); } diff --git a/src/MOLECULE/bond_table.h b/src/MOLECULE/bond_table.h index ee053d497b..5766239167 100644 --- a/src/MOLECULE/bond_table.h +++ b/src/MOLECULE/bond_table.h @@ -20,7 +20,7 @@ BondStyle(table,BondTable) #ifndef LMP_BOND_TABLE_H #define LMP_BOND_TABLE_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index 35953a6ac4..2372fae38b 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "dihedral_charmm.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 2f8a6a6679..349bee73d8 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -20,7 +20,7 @@ DihedralStyle(charmm,DihedralCharmm) #ifndef LMP_DIHEDRAL_CHARMM_H #define LMP_DIHEDRAL_CHARMM_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp index d33db36fda..99a5333620 100644 --- a/src/MOLECULE/dihedral_charmmfsw.cpp +++ b/src/MOLECULE/dihedral_charmmfsw.cpp @@ -19,9 +19,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "dihedral_charmmfsw.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/dihedral_charmmfsw.h b/src/MOLECULE/dihedral_charmmfsw.h index 3c93f8abcf..dd31067a8d 100644 --- a/src/MOLECULE/dihedral_charmmfsw.h +++ b/src/MOLECULE/dihedral_charmmfsw.h @@ -20,7 +20,7 @@ DihedralStyle(charmmfsw,DihedralCharmmfsw) #ifndef LMP_DIHEDRAL_CHARMMFSW_H #define LMP_DIHEDRAL_CHARMMFSW_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/dihedral_harmonic.cpp b/src/MOLECULE/dihedral_harmonic.cpp index 82c5fe3150..cb122f4bc2 100644 --- a/src/MOLECULE/dihedral_harmonic.cpp +++ b/src/MOLECULE/dihedral_harmonic.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "dihedral_harmonic.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h index db8789675d..2031261256 100644 --- a/src/MOLECULE/dihedral_harmonic.h +++ b/src/MOLECULE/dihedral_harmonic.h @@ -20,7 +20,7 @@ DihedralStyle(harmonic,DihedralHarmonic) #ifndef LMP_DIHEDRAL_HARMONIC_H #define LMP_DIHEDRAL_HARMONIC_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp index 43794bd6aa..f50895dbee 100644 --- a/src/MOLECULE/dihedral_helix.cpp +++ b/src/MOLECULE/dihedral_helix.cpp @@ -17,8 +17,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "dihedral_helix.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h index 61aef1d2ec..47756a2672 100644 --- a/src/MOLECULE/dihedral_helix.h +++ b/src/MOLECULE/dihedral_helix.h @@ -20,7 +20,7 @@ DihedralStyle(helix,DihedralHelix) #ifndef LMP_DIHEDRAL_HELIX_H #define LMP_DIHEDRAL_HELIX_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/dihedral_multi_harmonic.cpp b/src/MOLECULE/dihedral_multi_harmonic.cpp index 3a4be46fc7..97dab8b501 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.cpp +++ b/src/MOLECULE/dihedral_multi_harmonic.cpp @@ -15,8 +15,8 @@ Contributing author: Mathias Puetz (SNL) and friends ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_multi_harmonic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h index 8f40b56a5f..28a38e61ab 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.h +++ b/src/MOLECULE/dihedral_multi_harmonic.h @@ -20,7 +20,7 @@ DihedralStyle(multi/harmonic,DihedralMultiHarmonic) #ifndef LMP_DIHEDRAL_MULTI_HARMONIC_H #define LMP_DIHEDRAL_MULTI_HARMONIC_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/dihedral_opls.cpp b/src/MOLECULE/dihedral_opls.cpp index c3a7ee6aa7..b5103413b2 100644 --- a/src/MOLECULE/dihedral_opls.cpp +++ b/src/MOLECULE/dihedral_opls.cpp @@ -15,8 +15,8 @@ Contributing author: Mark Stevens (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_opls.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h index 0a127d3ac1..378dec1a6a 100644 --- a/src/MOLECULE/dihedral_opls.h +++ b/src/MOLECULE/dihedral_opls.h @@ -20,7 +20,7 @@ DihedralStyle(opls,DihedralOPLS) #ifndef LMP_DIHEDRAL_OPLS_H #define LMP_DIHEDRAL_OPLS_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index f4bc6c1ee6..5ef2e662ab 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -28,10 +28,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_cmap.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MOLECULE/improper_cvff.cpp b/src/MOLECULE/improper_cvff.cpp index 45740d7880..641eea74a8 100644 --- a/src/MOLECULE/improper_cvff.cpp +++ b/src/MOLECULE/improper_cvff.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_cvff.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h index 8e997e3ff4..d4c30cc2ee 100644 --- a/src/MOLECULE/improper_cvff.h +++ b/src/MOLECULE/improper_cvff.h @@ -20,7 +20,7 @@ ImproperStyle(cvff,ImproperCvff) #ifndef LMP_IMPROPER_CVFF_H #define LMP_IMPROPER_CVFF_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/improper_harmonic.cpp b/src/MOLECULE/improper_harmonic.cpp index c482055c76..091bd46316 100644 --- a/src/MOLECULE/improper_harmonic.cpp +++ b/src/MOLECULE/improper_harmonic.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_harmonic.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h index b5132ab7ff..be9b25f3b6 100644 --- a/src/MOLECULE/improper_harmonic.h +++ b/src/MOLECULE/improper_harmonic.h @@ -20,7 +20,7 @@ ImproperStyle(harmonic,ImproperHarmonic) #ifndef LMP_IMPROPER_HARMONIC_H #define LMP_IMPROPER_HARMONIC_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/improper_umbrella.cpp b/src/MOLECULE/improper_umbrella.cpp index 8a9b0b4434..31d7cba54d 100644 --- a/src/MOLECULE/improper_umbrella.cpp +++ b/src/MOLECULE/improper_umbrella.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_umbrella.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/improper_umbrella.h b/src/MOLECULE/improper_umbrella.h index f590a63c32..dc2262d01c 100644 --- a/src/MOLECULE/improper_umbrella.h +++ b/src/MOLECULE/improper_umbrella.h @@ -20,7 +20,7 @@ ImproperStyle(umbrella,ImproperUmbrella) #ifndef LMP_IMPROPER_UMBRELLA_H #define LMP_IMPROPER_UMBRELLA_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp index ecb4883cb3..26ff499dec 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp @@ -15,10 +15,10 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_hbond_dreiding_lj.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp index 83b03f9a2f..749053164c 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp @@ -15,10 +15,10 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_hbond_dreiding_morse.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp index 3700de00b0..688c675815 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_charmm.h" #include "atom.h" #include "comm.h" diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp index 3421f88eb3..6c083a49b0 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_lj_charmm_coul_charmm_implicit.h" #include "atom.h" #include "force.h" diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp index 7da6d59d32..4b9147c169 100644 --- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp +++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp @@ -19,10 +19,10 @@ with additional assistance from Robert A. Latour, Clemson University ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmmfsw_coul_charmmfsh.h" #include "atom.h" #include "update.h" diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp index c616a9fa83..92dead8435 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp @@ -15,9 +15,9 @@ Contributing author: Pavel Elkind (Gothenburg University) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_lj_cut_tip4p_cut.h" #include "atom.h" #include "force.h" diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp index 954bd35435..e9f52b8724 100644 --- a/src/MOLECULE/pair_tip4p_cut.cpp +++ b/src/MOLECULE/pair_tip4p_cut.cpp @@ -15,8 +15,8 @@ Contributing author: Pavel Elkind (Gothenburg University) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_tip4p_cut.h" #include "atom.h" #include "force.h" diff --git a/src/MPIIO/dump_atom_mpiio.cpp b/src/MPIIO/dump_atom_mpiio.cpp index 75702ed9b0..4422ef1cdf 100644 --- a/src/MPIIO/dump_atom_mpiio.cpp +++ b/src/MPIIO/dump_atom_mpiio.cpp @@ -15,7 +15,7 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ -#include +#include #include "dump_atom_mpiio.h" #include "domain.h" #include "atom.h" diff --git a/src/MPIIO/dump_atom_mpiio.h b/src/MPIIO/dump_atom_mpiio.h index 265f9a3b02..ad49fa1182 100644 --- a/src/MPIIO/dump_atom_mpiio.h +++ b/src/MPIIO/dump_atom_mpiio.h @@ -21,7 +21,7 @@ DumpStyle(atom/mpiio,DumpAtomMPIIO) #define LMP_DUMP_ATOM_MPIIO_H #include "dump_atom.h" -#include +#include namespace LAMMPS_NS { diff --git a/src/MPIIO/dump_cfg_mpiio.cpp b/src/MPIIO/dump_cfg_mpiio.cpp index 1cca047bb2..5086d1dc6c 100644 --- a/src/MPIIO/dump_cfg_mpiio.cpp +++ b/src/MPIIO/dump_cfg_mpiio.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_cfg_mpiio.h" #include "atom.h" #include "domain.h" @@ -34,7 +34,6 @@ #ifdef LMP_USER_IO_TIMER #include #include -#include long dumpCFGTimestamps[10]; #endif diff --git a/src/MPIIO/dump_custom_mpiio.cpp b/src/MPIIO/dump_custom_mpiio.cpp index 0b282b77ef..2da6dd700d 100644 --- a/src/MPIIO/dump_custom_mpiio.cpp +++ b/src/MPIIO/dump_custom_mpiio.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_custom_mpiio.h" #include "atom.h" #include "force.h" @@ -32,7 +32,6 @@ #include "fix.h" #include "memory.h" #include "error.h" -#include #if defined(_OPENMP) #include diff --git a/src/MPIIO/dump_xyz_mpiio.cpp b/src/MPIIO/dump_xyz_mpiio.cpp index cc87fe881c..4725efccd1 100644 --- a/src/MPIIO/dump_xyz_mpiio.cpp +++ b/src/MPIIO/dump_xyz_mpiio.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_xyz_mpiio.h" #include "atom.h" #include "force.h" @@ -32,7 +32,6 @@ #include "fix.h" #include "memory.h" #include "error.h" -#include #if defined(_OPENMP) #include diff --git a/src/MPIIO/restart_mpiio.cpp b/src/MPIIO/restart_mpiio.cpp index 8ad1dccdca..804df211dc 100644 --- a/src/MPIIO/restart_mpiio.cpp +++ b/src/MPIIO/restart_mpiio.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include +#include #include "restart_mpiio.h" #include "error.h" -#include using namespace LAMMPS_NS; diff --git a/src/MSCG/fix_mscg.cpp b/src/MSCG/fix_mscg.cpp index fba198c814..2e9e03c941 100644 --- a/src/MSCG/fix_mscg.cpp +++ b/src/MSCG/fix_mscg.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "fix_mscg.h" #include "mscg.h" #include "atom.h" diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp index 3afec5644a..5345d7f8d6 100644 --- a/src/OPT/pair_eam_opt.cpp +++ b/src/OPT/pair_eam_opt.cpp @@ -19,8 +19,8 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_eam_opt.h" #include "atom.h" #include "comm.h" diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.cpp b/src/OPT/pair_lj_charmm_coul_long_opt.cpp index b98dd36dd1..43f4ba7f5a 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.cpp +++ b/src/OPT/pair_lj_charmm_coul_long_opt.cpp @@ -18,8 +18,8 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_lj_charmm_coul_long_opt.h" #include "atom.h" #include "force.h" diff --git a/src/OPT/pair_lj_cut_coul_long_opt.cpp b/src/OPT/pair_lj_cut_coul_long_opt.cpp index 140d4d023a..98683a67a4 100644 --- a/src/OPT/pair_lj_cut_coul_long_opt.cpp +++ b/src/OPT/pair_lj_cut_coul_long_opt.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_long_opt.h" #include "atom.h" #include "force.h" diff --git a/src/OPT/pair_lj_cut_opt.cpp b/src/OPT/pair_lj_cut_opt.cpp index 0812a56f01..ed35178c1f 100644 --- a/src/OPT/pair_lj_cut_opt.cpp +++ b/src/OPT/pair_lj_cut_opt.cpp @@ -18,7 +18,7 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_opt.h" #include "atom.h" #include "force.h" diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp index db9402b521..4842cc4fc0 100644 --- a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp +++ b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp @@ -15,7 +15,7 @@ OPT version: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_tip4p_long_opt.h" #include "atom.h" #include "domain.h" diff --git a/src/OPT/pair_lj_long_coul_long_opt.cpp b/src/OPT/pair_lj_long_coul_long_opt.cpp index c5756cbecc..91ffc2c01e 100644 --- a/src/OPT/pair_lj_long_coul_long_opt.cpp +++ b/src/OPT/pair_lj_long_coul_long_opt.cpp @@ -15,7 +15,7 @@ OPT version: Wayne Mitchell (Loyola University New Orleans) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_long_coul_long_opt.h" #include "atom.h" #include "force.h" diff --git a/src/OPT/pair_morse_opt.cpp b/src/OPT/pair_morse_opt.cpp index e63fbd0938..6299136f46 100644 --- a/src/OPT/pair_morse_opt.cpp +++ b/src/OPT/pair_morse_opt.cpp @@ -18,8 +18,8 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_morse_opt.h" #include "atom.h" #include "force.h" diff --git a/src/OPT/pair_ufm_opt.cpp b/src/OPT/pair_ufm_opt.cpp index f6f4c4ce3e..85c76d624d 100644 --- a/src/OPT/pair_ufm_opt.cpp +++ b/src/OPT/pair_ufm_opt.cpp @@ -17,8 +17,8 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_ufm_opt.h" #include "atom.h" #include "force.h" diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp index 3e6a72289a..d78fe27c94 100644 --- a/src/PERI/atom_vec_peri.cpp +++ b/src/PERI/atom_vec_peri.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_peri.h" #include "atom.h" #include "comm.h" diff --git a/src/PERI/compute_damage_atom.cpp b/src/PERI/compute_damage_atom.cpp index a3bc580f7a..4bf8fa17a5 100644 --- a/src/PERI/compute_damage_atom.cpp +++ b/src/PERI/compute_damage_atom.cpp @@ -15,7 +15,7 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include +#include #include "compute_damage_atom.h" #include "atom.h" #include "update.h" diff --git a/src/PERI/compute_dilatation_atom.cpp b/src/PERI/compute_dilatation_atom.cpp index d79b80f4d4..990731a227 100644 --- a/src/PERI/compute_dilatation_atom.cpp +++ b/src/PERI/compute_dilatation_atom.cpp @@ -15,7 +15,7 @@ Contributing author: Rezwanur Rahman, John Foster (UTSA) ------------------------------------------------------------------------- */ -#include +#include #include "compute_dilatation_atom.h" #include "atom.h" #include "update.h" diff --git a/src/PERI/compute_plasticity_atom.cpp b/src/PERI/compute_plasticity_atom.cpp index 34fd23fe6a..d08fb98e07 100644 --- a/src/PERI/compute_plasticity_atom.cpp +++ b/src/PERI/compute_plasticity_atom.cpp @@ -15,7 +15,7 @@ Contributing author: Rezwanur Rahman, John Foster (UTSA) ------------------------------------------------------------------------- */ -#include +#include #include "compute_plasticity_atom.h" #include "atom.h" #include "update.h" diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index d92f355c53..42d86e14b2 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -15,7 +15,7 @@ Contributing authors: Mike Parks (SNL), Ezwanur Rahman, J.T. Foster (UTSA) ------------------------------------------------------------------------- */ -#include +#include #include "fix_peri_neigh.h" #include "pair_peri_pmb.h" #include "pair_peri_lps.h" diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp index 670e1d6937..9950c36f41 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -15,9 +15,9 @@ Contributing author: Rezwanur Rahman, John Foster (UTSA) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_peri_eps.h" #include "atom.h" #include "domain.h" diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index 0fe8f29f38..4c48223b07 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_peri_lps.h" #include "atom.h" #include "domain.h" diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp index 9e598289bd..81461f0b83 100644 --- a/src/PERI/pair_peri_pmb.cpp +++ b/src/PERI/pair_peri_pmb.cpp @@ -15,10 +15,10 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_peri_pmb.h" #include "atom.h" #include "domain.h" diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index 87213b5b59..a9f620ef4b 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -15,9 +15,9 @@ Contributing authors: Rezwanur Rahman, J.T. Foster (UTSA) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_peri_ves.h" #include "atom.h" #include "domain.h" diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp index 7ff9e91af8..ebd1729b6e 100644 --- a/src/POEMS/fix_poems.cpp +++ b/src/POEMS/fix_poems.cpp @@ -18,10 +18,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "workspace.h" #include "fix_poems.h" #include "atom.h" diff --git a/src/PYTHON/fix_python_invoke.cpp b/src/PYTHON/fix_python_invoke.cpp index 9a4db51d99..199dd94f3d 100644 --- a/src/PYTHON/fix_python_invoke.cpp +++ b/src/PYTHON/fix_python_invoke.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "fix_python_invoke.h" #include "atom.h" #include "force.h" diff --git a/src/PYTHON/fix_python_move.cpp b/src/PYTHON/fix_python_move.cpp index 22d3bd065f..7331a75db6 100644 --- a/src/PYTHON/fix_python_move.cpp +++ b/src/PYTHON/fix_python_move.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_python_move.h" #include "atom.h" #include "comm.h" diff --git a/src/PYTHON/pair_python.cpp b/src/PYTHON/pair_python.cpp index 0db987bb63..223129f7d6 100644 --- a/src/PYTHON/pair_python.cpp +++ b/src/PYTHON/pair_python.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "pair_python.h" #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index afa2801831..8acf4498f5 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -16,10 +16,10 @@ Based on fix qeq/reax by H. Metin Aktulga ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq.h" #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index 43e9a9c874..aeb8dd2c59 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_dynamic.h" #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_fire.cpp b/src/QEQ/fix_qeq_fire.cpp index 763a39e82e..db63bec206 100644 --- a/src/QEQ/fix_qeq_fire.cpp +++ b/src/QEQ/fix_qeq_fire.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_fire.h" #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index 906f737991..bf7130c1d6 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_point.h" #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index e23384b1c9..70898fd96c 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_shielded.h" #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp index 544b9f037a..4ddcf06357 100644 --- a/src/QEQ/fix_qeq_slater.cpp +++ b/src/QEQ/fix_qeq_slater.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_slater.h" #include "atom.h" #include "comm.h" diff --git a/src/REAX/fix_reax_bonds.cpp b/src/REAX/fix_reax_bonds.cpp index 00cfb0937b..84e4a66e6c 100644 --- a/src/REAX/fix_reax_bonds.cpp +++ b/src/REAX/fix_reax_bonds.cpp @@ -19,8 +19,8 @@ #error LAMMPS_BIGBIG is not supported by the REAX package #endif -#include -#include +#include +#include #include "fix_reax_bonds.h" #include "pair_reax_fortran.h" #include "atom.h" diff --git a/src/REAX/fix_reax_bonds.h b/src/REAX/fix_reax_bonds.h index 7246b836c1..03bad1ef16 100644 --- a/src/REAX/fix_reax_bonds.h +++ b/src/REAX/fix_reax_bonds.h @@ -20,7 +20,7 @@ FixStyle(reax/bonds,FixReaxBonds) #ifndef LMP_FIX_REAX_BONDS_H #define LMP_FIX_REAX_BONDS_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/REAX/pair_reax.cpp b/src/REAX/pair_reax.cpp index f6217c69a4..24083a288a 100644 --- a/src/REAX/pair_reax.cpp +++ b/src/REAX/pair_reax.cpp @@ -21,10 +21,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_reax.h" #include "pair_reax_fortran.h" #include "atom.h" diff --git a/src/REPLICA/compute_event_displace.cpp b/src/REPLICA/compute_event_displace.cpp index 330e2ebca3..df14221586 100644 --- a/src/REPLICA/compute_event_displace.cpp +++ b/src/REPLICA/compute_event_displace.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_event_displace.h" #include "atom.h" #include "domain.h" diff --git a/src/REPLICA/fix_event.cpp b/src/REPLICA/fix_event.cpp index f688550a65..3b9b49ac57 100644 --- a/src/REPLICA/fix_event.cpp +++ b/src/REPLICA/fix_event.cpp @@ -15,8 +15,8 @@ Contributing author: Mike Brown (SNL), Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_event.h" #include "atom.h" #include "update.h" diff --git a/src/REPLICA/fix_event_prd.cpp b/src/REPLICA/fix_event_prd.cpp index 863caa64f2..a311a6444a 100644 --- a/src/REPLICA/fix_event_prd.cpp +++ b/src/REPLICA/fix_event_prd.cpp @@ -15,8 +15,8 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_event_prd.h" #include "atom.h" #include "update.h" diff --git a/src/REPLICA/fix_event_tad.cpp b/src/REPLICA/fix_event_tad.cpp index b2d74855fa..0916fdf493 100644 --- a/src/REPLICA/fix_event_tad.cpp +++ b/src/REPLICA/fix_event_tad.cpp @@ -15,8 +15,8 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_event_tad.h" #include "atom.h" #include "update.h" diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index 33f834a140..e5d24da392 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_neb.h" #include "universe.h" #include "update.h" diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp index 692f936125..35225b3c1e 100644 --- a/src/REPLICA/neb.cpp +++ b/src/REPLICA/neb.cpp @@ -17,9 +17,9 @@ #include "lmptype.h" #include -#include -#include -#include +#include +#include +#include #include "neb.h" #include "universe.h" #include "atom.h" diff --git a/src/REPLICA/neb.h b/src/REPLICA/neb.h index 556ea22bbe..9453c3c43b 100644 --- a/src/REPLICA/neb.h +++ b/src/REPLICA/neb.h @@ -20,7 +20,7 @@ CommandStyle(neb,NEB) #ifndef LMP_NEB_H #define LMP_NEB_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/REPLICA/prd.cpp b/src/REPLICA/prd.cpp index 684277a698..6d450f48e3 100644 --- a/src/REPLICA/prd.cpp +++ b/src/REPLICA/prd.cpp @@ -21,9 +21,9 @@ #include "lmptype.h" #include -#include -#include -#include +#include +#include +#include #include "prd.h" #include "universe.h" #include "update.h" diff --git a/src/REPLICA/tad.cpp b/src/REPLICA/tad.cpp index 958a57e4e8..46073952fc 100644 --- a/src/REPLICA/tad.cpp +++ b/src/REPLICA/tad.cpp @@ -21,9 +21,9 @@ #include "lmptype.h" #include -#include -#include -#include +#include +#include +#include #include "tad.h" #include "universe.h" #include "update.h" diff --git a/src/REPLICA/temper.cpp b/src/REPLICA/temper.cpp index d7e8c981bb..fe3e3fb993 100644 --- a/src/REPLICA/temper.cpp +++ b/src/REPLICA/temper.cpp @@ -15,9 +15,9 @@ Contributing author: Mark Sears (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "temper.h" #include "universe.h" #include "domain.h" diff --git a/src/REPLICA/verlet_split.cpp b/src/REPLICA/verlet_split.cpp index e47965d1c3..05ea0877ab 100644 --- a/src/REPLICA/verlet_split.cpp +++ b/src/REPLICA/verlet_split.cpp @@ -15,7 +15,7 @@ Contributing authors: Yuxing Peng and Chris Knight (U Chicago) ------------------------------------------------------------------------- */ -#include +#include #include "verlet_split.h" #include "universe.h" #include "neighbor.h" diff --git a/src/RIGID/compute_erotate_rigid.cpp b/src/RIGID/compute_erotate_rigid.cpp index e31565cb60..a3ddffd9ab 100644 --- a/src/RIGID/compute_erotate_rigid.cpp +++ b/src/RIGID/compute_erotate_rigid.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_erotate_rigid.h" #include "update.h" #include "force.h" diff --git a/src/RIGID/compute_ke_rigid.cpp b/src/RIGID/compute_ke_rigid.cpp index 2db756140f..4de13532b2 100644 --- a/src/RIGID/compute_ke_rigid.cpp +++ b/src/RIGID/compute_ke_rigid.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_ke_rigid.h" #include "update.h" #include "force.h" diff --git a/src/RIGID/compute_rigid_local.cpp b/src/RIGID/compute_rigid_local.cpp index deca01f2ae..bcb778ab86 100644 --- a/src/RIGID/compute_rigid_local.cpp +++ b/src/RIGID/compute_rigid_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_rigid_local.h" #include "atom.h" #include "update.h" diff --git a/src/RIGID/fix_ehex.cpp b/src/RIGID/fix_ehex.cpp index 61b76b513f..1476c71d3f 100644 --- a/src/RIGID/fix_ehex.cpp +++ b/src/RIGID/fix_ehex.cpp @@ -22,9 +22,9 @@ which implements the heat exchange (HEX) algorithm. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_ehex.h" #include "atom.h" #include "domain.h" diff --git a/src/RIGID/fix_rattle.cpp b/src/RIGID/fix_rattle.cpp index 666561b462..7ade8d6848 100644 --- a/src/RIGID/fix_rattle.cpp +++ b/src/RIGID/fix_rattle.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_rattle.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index e9f668dafd..554412330c 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_rigid.h" #include "math_extra.h" #include "atom.h" diff --git a/src/RIGID/fix_rigid_nh.cpp b/src/RIGID/fix_rigid_nh.cpp index 0e05685dba..7007ba1930 100644 --- a/src/RIGID/fix_rigid_nh.cpp +++ b/src/RIGID/fix_rigid_nh.cpp @@ -17,9 +17,9 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_rigid_nh.h" #include "math_extra.h" #include "atom.h" diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 50777766fe..874812cc69 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -17,9 +17,9 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_rigid_nh_small.h" #include "math_extra.h" #include "atom.h" diff --git a/src/RIGID/fix_rigid_nph.cpp b/src/RIGID/fix_rigid_nph.cpp index c0aa3b7040..45a4a8d09c 100644 --- a/src/RIGID/fix_rigid_nph.cpp +++ b/src/RIGID/fix_rigid_nph.cpp @@ -17,7 +17,7 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include +#include #include "fix_rigid_nph.h" #include "domain.h" #include "modify.h" diff --git a/src/RIGID/fix_rigid_nph_small.cpp b/src/RIGID/fix_rigid_nph_small.cpp index 4e3e54766f..d32e3043f4 100644 --- a/src/RIGID/fix_rigid_nph_small.cpp +++ b/src/RIGID/fix_rigid_nph_small.cpp @@ -17,7 +17,7 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include +#include #include "fix_rigid_nph_small.h" #include "domain.h" #include "modify.h" diff --git a/src/RIGID/fix_rigid_npt.cpp b/src/RIGID/fix_rigid_npt.cpp index 24e12e41c2..da5d5ffaa5 100644 --- a/src/RIGID/fix_rigid_npt.cpp +++ b/src/RIGID/fix_rigid_npt.cpp @@ -17,7 +17,7 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include +#include #include "fix_rigid_npt.h" #include "domain.h" #include "modify.h" diff --git a/src/RIGID/fix_rigid_npt_small.cpp b/src/RIGID/fix_rigid_npt_small.cpp index 551ef50ca9..f1fd5470da 100644 --- a/src/RIGID/fix_rigid_npt_small.cpp +++ b/src/RIGID/fix_rigid_npt_small.cpp @@ -17,7 +17,7 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include +#include #include "fix_rigid_npt_small.h" #include "domain.h" #include "modify.h" diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 0cdec74fe8..e5ccd5ec15 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_rigid_small.h" #include "math_extra.h" #include "atom.h" diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp index 35c8d7a917..0beef3bfa2 100644 --- a/src/RIGID/fix_shake.cpp +++ b/src/RIGID/fix_shake.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_shake.h" #include "fix_rattle.h" #include "atom.h" diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp index 80be74bee1..27a7f5514a 100644 --- a/src/SHOCK/fix_append_atoms.cpp +++ b/src/SHOCK/fix_append_atoms.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_append_atoms.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/SHOCK/fix_msst.cpp b/src/SHOCK/fix_msst.cpp index d7e5723980..a7890c3afa 100644 --- a/src/SHOCK/fix_msst.cpp +++ b/src/SHOCK/fix_msst.cpp @@ -17,9 +17,9 @@ see Reed, Fried, Joannopoulos, Phys Rev Lett, 90, 235503 (2003) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_msst.h" #include "atom.h" #include "force.h" diff --git a/src/SHOCK/fix_nphug.cpp b/src/SHOCK/fix_nphug.cpp index d28e9daf77..c6df6646cf 100644 --- a/src/SHOCK/fix_nphug.cpp +++ b/src/SHOCK/fix_nphug.cpp @@ -11,8 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "fix_nphug.h" #include "modify.h" #include "error.h" @@ -21,10 +22,8 @@ #include "force.h" #include "domain.h" #include "group.h" -#include #include "memory.h" #include "comm.h" -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/SHOCK/fix_wall_piston.cpp b/src/SHOCK/fix_wall_piston.cpp index 7dff3d986f..7146b46c1e 100644 --- a/src/SHOCK/fix_wall_piston.cpp +++ b/src/SHOCK/fix_wall_piston.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_wall_piston.h" #include "atom.h" #include "modify.h" diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp index 4b114d9ce7..1afd4953b4 100644 --- a/src/SNAP/compute_sna_atom.cpp +++ b/src/SNAP/compute_sna_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "sna.h" -#include -#include +#include +#include #include "compute_sna_atom.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp index 54a6ce7612..03314d22f1 100644 --- a/src/SNAP/compute_snad_atom.cpp +++ b/src/SNAP/compute_snad_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "sna.h" -#include -#include +#include +#include #include "compute_snad_atom.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp index 0278be5a97..87be8b8205 100644 --- a/src/SNAP/compute_snav_atom.cpp +++ b/src/SNAP/compute_snav_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "sna.h" -#include -#include +#include +#include #include "compute_snav_atom.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index 377235685c..ae08b32f2e 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_snap.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/SNAP/sna.cpp b/src/SNAP/sna.cpp index 16c382cc4c..3150573043 100644 --- a/src/SNAP/sna.cpp +++ b/src/SNAP/sna.cpp @@ -16,11 +16,11 @@ ------------------------------------------------------------------------- */ #include "sna.h" -#include +#include #include "math_const.h" #include "math_extra.h" -#include -#include +#include +#include #include "openmp_snap.h" #include "memory.h" diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp index 81ef202420..6bc72dca4b 100644 --- a/src/SRD/fix_srd.cpp +++ b/src/SRD/fix_srd.cpp @@ -15,9 +15,9 @@ Contributing authors: Jeremy Lechman (SNL), Pieter in 't Veld (BASF) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_srd.h" #include "math_extra.h" #include "atom.h" diff --git a/src/SRD/fix_wall_srd.cpp b/src/SRD/fix_wall_srd.cpp index dbca9c5fc8..24b0c3cec5 100644 --- a/src/SRD/fix_wall_srd.cpp +++ b/src/SRD/fix_wall_srd.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_wall_srd.h" #include "atom.h" #include "modify.h" diff --git a/src/USER-ATC/fix_atc.cpp b/src/USER-ATC/fix_atc.cpp index 96ad93481d..f53343ced1 100644 --- a/src/USER-ATC/fix_atc.cpp +++ b/src/USER-ATC/fix_atc.cpp @@ -35,8 +35,8 @@ #include "ATC_CouplingMomentumEnergy.h" #include "LammpsInterface.h" // other -#include -#include +#include +#include #include using namespace LAMMPS_NS; diff --git a/src/USER-AWPMD/atom_vec_wavepacket.cpp b/src/USER-AWPMD/atom_vec_wavepacket.cpp index 33048efba6..7556dd2c8e 100644 --- a/src/USER-AWPMD/atom_vec_wavepacket.cpp +++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp @@ -15,9 +15,9 @@ Contributing author: Ilya Valuev (JIHT, Moscow, Russia) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_wavepacket.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-AWPMD/fix_nve_awpmd.cpp b/src/USER-AWPMD/fix_nve_awpmd.cpp index 3ad425030d..7722c93121 100644 --- a/src/USER-AWPMD/fix_nve_awpmd.cpp +++ b/src/USER-AWPMD/fix_nve_awpmd.cpp @@ -15,16 +15,15 @@ Contributing author: Ilya Valuev (JIHT, Moscow, Russia) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_awpmd.h" #include "atom.h" #include "force.h" #include "update.h" #include "respa.h" #include "error.h" -#include #include "TCP/wpmd_split.h" diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp index 2ce1a92684..2dcb3e6296 100644 --- a/src/USER-AWPMD/pair_awpmd_cut.cpp +++ b/src/USER-AWPMD/pair_awpmd_cut.cpp @@ -15,10 +15,10 @@ Contributing author: Ilya Valuev (JIHT, Moscow, Russia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_awpmd_cut.h" #include "atom.h" #include "update.h" diff --git a/src/USER-CGDNA/bond_oxdna2_fene.cpp b/src/USER-CGDNA/bond_oxdna2_fene.cpp index b2e1afb073..39cbb04f88 100644 --- a/src/USER-CGDNA/bond_oxdna2_fene.cpp +++ b/src/USER-CGDNA/bond_oxdna2_fene.cpp @@ -14,8 +14,8 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_oxdna2_fene.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/bond_oxdna_fene.cpp b/src/USER-CGDNA/bond_oxdna_fene.cpp index e5d3a3e452..da1eb38e76 100644 --- a/src/USER-CGDNA/bond_oxdna_fene.cpp +++ b/src/USER-CGDNA/bond_oxdna_fene.cpp @@ -14,8 +14,8 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_oxdna_fene.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-CGDNA/fix_nve_dot.cpp b/src/USER-CGDNA/fix_nve_dot.cpp index 5cdda59703..63f38a4e12 100644 --- a/src/USER-CGDNA/fix_nve_dot.cpp +++ b/src/USER-CGDNA/fix_nve_dot.cpp @@ -14,9 +14,9 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_dot.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-CGDNA/fix_nve_dotc_langevin.cpp b/src/USER-CGDNA/fix_nve_dotc_langevin.cpp index fae515897c..90f7b1caeb 100644 --- a/src/USER-CGDNA/fix_nve_dotc_langevin.cpp +++ b/src/USER-CGDNA/fix_nve_dotc_langevin.cpp @@ -15,9 +15,9 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_dotc_langevin.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-CGDNA/mf_oxdna.h b/src/USER-CGDNA/mf_oxdna.h index 56055d5fac..c63a37cde2 100644 --- a/src/USER-CGDNA/mf_oxdna.h +++ b/src/USER-CGDNA/mf_oxdna.h @@ -14,7 +14,7 @@ #ifndef MF_OXDNA_H #define MF_OXDNA_H -#include +#include #include "math_extra.h" namespace MFOxdna { diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp index 8312d92bc0..3a80de436a 100644 --- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp +++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna2_coaxstk.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGDNA/pair_oxdna2_dh.cpp b/src/USER-CGDNA/pair_oxdna2_dh.cpp index 4891423925..f4f78685b7 100644 --- a/src/USER-CGDNA/pair_oxdna2_dh.cpp +++ b/src/USER-CGDNA/pair_oxdna2_dh.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna2_dh.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGDNA/pair_oxdna2_excv.cpp b/src/USER-CGDNA/pair_oxdna2_excv.cpp index e1b18e1487..4329fbe071 100644 --- a/src/USER-CGDNA/pair_oxdna2_excv.cpp +++ b/src/USER-CGDNA/pair_oxdna2_excv.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna2_excv.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/pair_oxdna2_stk.cpp b/src/USER-CGDNA/pair_oxdna2_stk.cpp index 3b98db3201..f479572aa6 100644 --- a/src/USER-CGDNA/pair_oxdna2_stk.cpp +++ b/src/USER-CGDNA/pair_oxdna2_stk.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna2_stk.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp index 4a1af83884..11689df738 100644 --- a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp +++ b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna_coaxstk.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGDNA/pair_oxdna_excv.cpp b/src/USER-CGDNA/pair_oxdna_excv.cpp index 09ae13f1b2..31762018a3 100644 --- a/src/USER-CGDNA/pair_oxdna_excv.cpp +++ b/src/USER-CGDNA/pair_oxdna_excv.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna_excv.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGDNA/pair_oxdna_hbond.cpp b/src/USER-CGDNA/pair_oxdna_hbond.cpp index 1caf320ef1..3d3ba9b456 100644 --- a/src/USER-CGDNA/pair_oxdna_hbond.cpp +++ b/src/USER-CGDNA/pair_oxdna_hbond.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna_hbond.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGDNA/pair_oxdna_stk.cpp b/src/USER-CGDNA/pair_oxdna_stk.cpp index 9c3a11b9b7..8c4498e627 100644 --- a/src/USER-CGDNA/pair_oxdna_stk.cpp +++ b/src/USER-CGDNA/pair_oxdna_stk.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna_stk.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGDNA/pair_oxdna_xstk.cpp b/src/USER-CGDNA/pair_oxdna_xstk.cpp index c14993dc36..d456c0117c 100644 --- a/src/USER-CGDNA/pair_oxdna_xstk.cpp +++ b/src/USER-CGDNA/pair_oxdna_xstk.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_oxdna_xstk.h" #include "mf_oxdna.h" #include "atom.h" diff --git a/src/USER-CGSDK/angle_sdk.cpp b/src/USER-CGSDK/angle_sdk.cpp index a4f979961f..6b8245b491 100644 --- a/src/USER-CGSDK/angle_sdk.cpp +++ b/src/USER-CGSDK/angle_sdk.cpp @@ -18,8 +18,8 @@ lj/sdk potential for coarse grained MD simulations. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_sdk.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-CGSDK/angle_sdk.h b/src/USER-CGSDK/angle_sdk.h index a5d917e57c..293004ad4d 100644 --- a/src/USER-CGSDK/angle_sdk.h +++ b/src/USER-CGSDK/angle_sdk.h @@ -20,7 +20,7 @@ AngleStyle(sdk,AngleSDK) #ifndef LMP_ANGLE_SDK_H #define LMP_ANGLE_SDK_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-CGSDK/lj_sdk_common.h b/src/USER-CGSDK/lj_sdk_common.h index f8f7a66ce9..c1f2cf215a 100644 --- a/src/USER-CGSDK/lj_sdk_common.h +++ b/src/USER-CGSDK/lj_sdk_common.h @@ -19,7 +19,7 @@ #ifndef LMP_LJ_SDK_COMMON_H #define LMP_LJ_SDK_COMMON_H -#include +#include namespace LAMMPS_NS { namespace LJSDKParms { diff --git a/src/USER-CGSDK/pair_lj_sdk.cpp b/src/USER-CGSDK/pair_lj_sdk.cpp index 56e56c9605..cbcba7f6b2 100644 --- a/src/USER-CGSDK/pair_lj_sdk.cpp +++ b/src/USER-CGSDK/pair_lj_sdk.cpp @@ -16,10 +16,10 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sdk.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp index 4c9e42f778..1d93363e20 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp +++ b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp @@ -16,10 +16,10 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sdk_coul_long.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp index ddca927a68..c4882fdbdb 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp +++ b/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp @@ -16,10 +16,10 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_sdk_coul_msm.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-COLVARS/fix_colvars.cpp b/src/USER-COLVARS/fix_colvars.cpp index 84b3ee07d6..0e4e151c3d 100644 --- a/src/USER-COLVARS/fix_colvars.cpp +++ b/src/USER-COLVARS/fix_colvars.cpp @@ -24,10 +24,10 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include #include "fix_colvars.h" diff --git a/src/USER-COLVARS/group_ndx.cpp b/src/USER-COLVARS/group_ndx.cpp index 5076918039..450c250ffa 100644 --- a/src/USER-COLVARS/group_ndx.cpp +++ b/src/USER-COLVARS/group_ndx.cpp @@ -23,8 +23,8 @@ #include "memory.h" #include "error.h" -#include -#include +#include +#include using namespace LAMMPS_NS; diff --git a/src/USER-COLVARS/ndx_group.cpp b/src/USER-COLVARS/ndx_group.cpp index c7972e372e..7b46364f18 100644 --- a/src/USER-COLVARS/ndx_group.cpp +++ b/src/USER-COLVARS/ndx_group.cpp @@ -24,9 +24,9 @@ #include "force.h" #include "error.h" -#include -#include -#include +#include +#include +#include using namespace LAMMPS_NS; #define BUFLEN 4096 diff --git a/src/USER-DIFFRACTION/compute_saed.cpp b/src/USER-DIFFRACTION/compute_saed.cpp index cc1dec96fa..3d09955275 100644 --- a/src/USER-DIFFRACTION/compute_saed.cpp +++ b/src/USER-DIFFRACTION/compute_saed.cpp @@ -16,8 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include +#include +#include #include "math_const.h" #include "compute_saed.h" #include "compute_saed_consts.h" @@ -29,8 +31,6 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include -#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-DIFFRACTION/compute_xrd.cpp b/src/USER-DIFFRACTION/compute_xrd.cpp index 380629ffb9..4d5cccdc50 100644 --- a/src/USER-DIFFRACTION/compute_xrd.cpp +++ b/src/USER-DIFFRACTION/compute_xrd.cpp @@ -17,8 +17,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include +#include +#include #include "math_const.h" #include "compute_xrd.h" #include "compute_xrd_consts.h" @@ -30,8 +32,6 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include -#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-DIFFRACTION/fix_saed_vtk.cpp b/src/USER-DIFFRACTION/fix_saed_vtk.cpp index dfa63f630a..45bfeca48b 100644 --- a/src/USER-DIFFRACTION/fix_saed_vtk.cpp +++ b/src/USER-DIFFRACTION/fix_saed_vtk.cpp @@ -16,8 +16,9 @@ Incorporating SAED: Shawn Coleman (Arkansas) ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "fix_saed_vtk.h" #include "update.h" #include "modify.h" @@ -29,7 +30,6 @@ #include "memory.h" #include "error.h" #include "force.h" -#include #include "domain.h" using namespace LAMMPS_NS; diff --git a/src/USER-DIFFRACTION/fix_saed_vtk.h b/src/USER-DIFFRACTION/fix_saed_vtk.h index fa379e7216..2fc09c781c 100644 --- a/src/USER-DIFFRACTION/fix_saed_vtk.h +++ b/src/USER-DIFFRACTION/fix_saed_vtk.h @@ -20,7 +20,7 @@ FixStyle(saed/vtk,FixSAEDVTK) #ifndef LMP_FIX_SAED_VTK_H #define LMP_FIX_SAED_VTK_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/USER-DPD/atom_vec_dpd.cpp b/src/USER-DPD/atom_vec_dpd.cpp index 477ed05e3f..6c8e6f91a9 100644 --- a/src/USER-DPD/atom_vec_dpd.cpp +++ b/src/USER-DPD/atom_vec_dpd.cpp @@ -15,7 +15,7 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_dpd.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-DPD/compute_dpd_atom.cpp b/src/USER-DPD/compute_dpd_atom.cpp index c8231ddabc..78f842a68f 100644 --- a/src/USER-DPD/compute_dpd_atom.cpp +++ b/src/USER-DPD/compute_dpd_atom.cpp @@ -15,9 +15,9 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_dpd_atom.h" #include "atom.h" #include "update.h" diff --git a/src/USER-DPD/fix_dpd_energy.cpp b/src/USER-DPD/fix_dpd_energy.cpp index 475e12f02f..d89ea7759a 100644 --- a/src/USER-DPD/fix_dpd_energy.cpp +++ b/src/USER-DPD/fix_dpd_energy.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_dpd_energy.h" #include "atom.h" #include "force.h" diff --git a/src/USER-DPD/fix_eos_cv.cpp b/src/USER-DPD/fix_eos_cv.cpp index 7a2d278fe4..919e6829f3 100644 --- a/src/USER-DPD/fix_eos_cv.cpp +++ b/src/USER-DPD/fix_eos_cv.cpp @@ -15,8 +15,8 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_eos_cv.h" #include "atom.h" #include "error.h" diff --git a/src/USER-DPD/fix_eos_table.cpp b/src/USER-DPD/fix_eos_table.cpp index c17a972108..e57a3788bf 100644 --- a/src/USER-DPD/fix_eos_table.cpp +++ b/src/USER-DPD/fix_eos_table.cpp @@ -15,8 +15,8 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_eos_table.h" #include "atom.h" #include "error.h" diff --git a/src/USER-DPD/fix_eos_table_rx.cpp b/src/USER-DPD/fix_eos_table_rx.cpp index c9a705446a..73144c0a0f 100644 --- a/src/USER-DPD/fix_eos_table_rx.cpp +++ b/src/USER-DPD/fix_eos_table_rx.cpp @@ -15,15 +15,15 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "fix_eos_table_rx.h" #include "atom.h" #include "error.h" #include "force.h" #include "memory.h" #include "comm.h" -#include #include "modify.h" #define MAXLINE 1024 @@ -774,7 +774,7 @@ void FixEOStableRX::temperature_lookup(int id, double ui, double &thetai) // Apply the Secant Method for(it=0; itone(FLERR,"NaN detected in secant solver."); + if(std::isnan(f1) || std::isnan(f2)) error->one(FLERR,"NaN detected in secant solver."); temp = t1; temp = MAX(temp,tb->lo); temp = MIN(temp,tb->hi); @@ -794,7 +794,7 @@ void FixEOStableRX::temperature_lookup(int id, double ui, double &thetai) if(it==maxit){ char str[256]; sprintf(str,"Maxit exceeded in secant solver: id=%d ui=%lf thetai=%lf t1=%lf t2=%lf f1=%lf f2=%lf\n",id,ui,thetai,t1,t2,f1,f2); - if(isnan(f1) || isnan(f2) || isnan(ui) || isnan(thetai) || isnan(t1) || isnan(t2)) + if(std::isnan(f1) || std::isnan(f2) || std::isnan(ui) || std::isnan(thetai) || std::isnan(t1) || std::isnan(t2)) error->one(FLERR,"NaN detected in secant solver."); error->one(FLERR,str); } diff --git a/src/USER-DPD/fix_rx.cpp b/src/USER-DPD/fix_rx.cpp index 0d0ec2a75b..b8b002a7fa 100644 --- a/src/USER-DPD/fix_rx.cpp +++ b/src/USER-DPD/fix_rx.cpp @@ -11,10 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include +#include // DBL_EPSILON #include "fix_rx.h" #include "atom.h" #include "error.h" @@ -31,10 +32,8 @@ #include "math_special.h" #include "pair_dpd_fdt_energy.h" -#include // DBL_EPSILON #include // std::vector<> #include // std::max -#include // std::fmod using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-DPD/fix_shardlow.cpp b/src/USER-DPD/fix_shardlow.cpp index cee67cfcf9..06185dee7e 100644 --- a/src/USER-DPD/fix_shardlow.cpp +++ b/src/USER-DPD/fix_shardlow.cpp @@ -33,16 +33,16 @@ 135, 204105. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "fix_shardlow.h" #include "atom.h" #include "force.h" #include "update.h" #include "respa.h" #include "error.h" -#include #include "atom_vec.h" #include "comm.h" #include "neighbor.h" diff --git a/src/USER-DPD/fix_shardlow.h b/src/USER-DPD/fix_shardlow.h index 21f7569a23..67e4b8f32e 100644 --- a/src/USER-DPD/fix_shardlow.h +++ b/src/USER-DPD/fix_shardlow.h @@ -22,7 +22,6 @@ FixStyle(shardlow,FixShardlow) #include "fix.h" #include "random_external_state.h" -#include namespace LAMMPS_NS { diff --git a/src/USER-DPD/nbin_ssa.h b/src/USER-DPD/nbin_ssa.h index 12a572b94c..c738391d67 100644 --- a/src/USER-DPD/nbin_ssa.h +++ b/src/USER-DPD/nbin_ssa.h @@ -22,8 +22,8 @@ NBinStyle(ssa, #ifndef LMP_NBIN_SSA_H #define LMP_NBIN_SSA_H +#include #include "nbin_standard.h" -#include "math.h" #include "error.h" namespace LAMMPS_NS { @@ -54,7 +54,7 @@ class NBinSSA : public NBinStandard { { int ix,iy,iz; - if (!ISFINITE(x) || !ISFINITE(y) || !ISFINITE(z)) + if (!std::isfinite(x) || !std::isfinite(y) || !std::isfinite(z)) error->one(FLERR,"Non-numeric positions - simulation unstable"); if (x >= bboxhi_[0]) diff --git a/src/USER-DPD/pair_dpd_fdt.cpp b/src/USER-DPD/pair_dpd_fdt.cpp index 95908c556d..aeade16e7c 100644 --- a/src/USER-DPD/pair_dpd_fdt.cpp +++ b/src/USER-DPD/pair_dpd_fdt.cpp @@ -15,10 +15,10 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "atom.h" #include "atom_vec.h" #include "comm.h" diff --git a/src/USER-DPD/pair_dpd_fdt_energy.cpp b/src/USER-DPD/pair_dpd_fdt_energy.cpp index 32ac456b0f..d1f3cceed4 100644 --- a/src/USER-DPD/pair_dpd_fdt_energy.cpp +++ b/src/USER-DPD/pair_dpd_fdt_energy.cpp @@ -15,10 +15,10 @@ Contributing author: James Larentzos (U.S. Army Research Laboratory) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "atom.h" #include "atom_vec.h" #include "comm.h" diff --git a/src/USER-DPD/pair_exp6_rx.cpp b/src/USER-DPD/pair_exp6_rx.cpp index 8b6fc9beed..057c8fa119 100644 --- a/src/USER-DPD/pair_exp6_rx.cpp +++ b/src/USER-DPD/pair_exp6_rx.cpp @@ -11,10 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "pair_exp6_rx.h" #include "atom.h" #include "comm.h" @@ -26,7 +27,6 @@ #include "error.h" #include "modify.h" #include "fix.h" -#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-DPD/pair_multi_lucy.cpp b/src/USER-DPD/pair_multi_lucy.cpp index 6f4104e93d..3d204a849e 100644 --- a/src/USER-DPD/pair_multi_lucy.cpp +++ b/src/USER-DPD/pair_multi_lucy.cpp @@ -22,10 +22,10 @@ ------------------------------------------------------------------------------------------- */ #include -#include +#include #include "math_const.h" -#include -#include +#include +#include #include "pair_multi_lucy.h" #include "atom.h" #include "force.h" diff --git a/src/USER-DPD/pair_multi_lucy_rx.cpp b/src/USER-DPD/pair_multi_lucy_rx.cpp index 4628edbc12..0070ca82d9 100644 --- a/src/USER-DPD/pair_multi_lucy_rx.cpp +++ b/src/USER-DPD/pair_multi_lucy_rx.cpp @@ -22,10 +22,10 @@ ------------------------------------------------------------------------------------------- */ #include -#include +#include #include "math_const.h" -#include -#include +#include +#include #include "pair_multi_lucy_rx.h" #include "atom.h" #include "force.h" diff --git a/src/USER-DPD/pair_table_rx.cpp b/src/USER-DPD/pair_table_rx.cpp index 89d09e7322..221944edc5 100644 --- a/src/USER-DPD/pair_table_rx.cpp +++ b/src/USER-DPD/pair_table_rx.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "pair_table_rx.h" #include "atom.h" #include "force.h" diff --git a/src/USER-DPD/random_external_state.h b/src/USER-DPD/random_external_state.h index 47288d77fd..de017ee8bd 100644 --- a/src/USER-DPD/random_external_state.h +++ b/src/USER-DPD/random_external_state.h @@ -63,7 +63,7 @@ #ifndef LMP_RANDOM_EXTERNALSTATE_H #define LMP_RANDOM_EXTERNALSTATE_H -#include +#include #include "accelerator_kokkos.h" diff --git a/src/USER-DRUDE/compute_temp_drude.cpp b/src/USER-DRUDE/compute_temp_drude.cpp index 44b727f6b7..27b525c07d 100644 --- a/src/USER-DRUDE/compute_temp_drude.cpp +++ b/src/USER-DRUDE/compute_temp_drude.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_temp_drude.h" #include "atom.h" #include "update.h" diff --git a/src/USER-DRUDE/fix_drude.cpp b/src/USER-DRUDE/fix_drude.cpp index a38f9f1e66..19fd775715 100644 --- a/src/USER-DRUDE/fix_drude.cpp +++ b/src/USER-DRUDE/fix_drude.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_drude.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-DRUDE/fix_drude_transform.cpp b/src/USER-DRUDE/fix_drude_transform.cpp index adbfd324df..29c1ff8821 100644 --- a/src/USER-DRUDE/fix_drude_transform.cpp +++ b/src/USER-DRUDE/fix_drude_transform.cpp @@ -12,7 +12,8 @@ ------------------------------------------------------------------------- */ /** Fix Drude Transform ******************************************************/ -#include +#include +#include #include "fix_drude_transform.h" #include "atom.h" #include "domain.h" @@ -21,8 +22,6 @@ #include "modify.h" #include "force.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-DRUDE/fix_langevin_drude.cpp b/src/USER-DRUDE/fix_langevin_drude.cpp index d04adb0223..235c5d224b 100644 --- a/src/USER-DRUDE/fix_langevin_drude.cpp +++ b/src/USER-DRUDE/fix_langevin_drude.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_langevin_drude.h" #include "atom.h" #include "force.h" diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp index f78ced3d8b..ce5d3a92a9 100644 --- a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp +++ b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_thole_long.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-DRUDE/pair_thole.cpp b/src/USER-DRUDE/pair_thole.cpp index ace119ce52..8c20ee8c42 100644 --- a/src/USER-DRUDE/pair_thole.cpp +++ b/src/USER-DRUDE/pair_thole.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_thole.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp index 56d61fd74f..1bc5387c9e 100644 --- a/src/USER-EFF/atom_vec_electron.cpp +++ b/src/USER-EFF/atom_vec_electron.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_electron.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-EFF/compute_ke_atom_eff.cpp b/src/USER-EFF/compute_ke_atom_eff.cpp index 8d03e97b0a..b1b87cd3df 100644 --- a/src/USER-EFF/compute_ke_atom_eff.cpp +++ b/src/USER-EFF/compute_ke_atom_eff.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_ke_atom_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/compute_ke_eff.cpp b/src/USER-EFF/compute_ke_eff.cpp index 80c7192708..b4f571cb63 100644 --- a/src/USER-EFF/compute_ke_eff.cpp +++ b/src/USER-EFF/compute_ke_eff.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_ke_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/compute_temp_deform_eff.cpp b/src/USER-EFF/compute_temp_deform_eff.cpp index 40e8e529c0..53fb7683a7 100644 --- a/src/USER-EFF/compute_temp_deform_eff.cpp +++ b/src/USER-EFF/compute_temp_deform_eff.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_temp_deform_eff.h" #include "domain.h" #include "atom.h" diff --git a/src/USER-EFF/compute_temp_eff.cpp b/src/USER-EFF/compute_temp_eff.cpp index 251cdccaca..956461adf1 100644 --- a/src/USER-EFF/compute_temp_eff.cpp +++ b/src/USER-EFF/compute_temp_eff.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_temp_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/compute_temp_region_eff.cpp b/src/USER-EFF/compute_temp_region_eff.cpp index c0cd56f3a8..4548914ce1 100644 --- a/src/USER-EFF/compute_temp_region_eff.cpp +++ b/src/USER-EFF/compute_temp_region_eff.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_temp_region_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/fix_langevin_eff.cpp b/src/USER-EFF/fix_langevin_eff.cpp index 9584623fc3..2d0eef8e85 100644 --- a/src/USER-EFF/fix_langevin_eff.cpp +++ b/src/USER-EFF/fix_langevin_eff.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_langevin_eff.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-EFF/fix_nh_eff.cpp b/src/USER-EFF/fix_nh_eff.cpp index 464498969e..3e0a59612c 100644 --- a/src/USER-EFF/fix_nh_eff.cpp +++ b/src/USER-EFF/fix_nh_eff.cpp @@ -15,8 +15,8 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nh_eff.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-EFF/fix_nph_eff.cpp b/src/USER-EFF/fix_nph_eff.cpp index 0fe8c8e6db..28ebc620f9 100644 --- a/src/USER-EFF/fix_nph_eff.cpp +++ b/src/USER-EFF/fix_nph_eff.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_eff.h" #include "modify.h" #include "error.h" diff --git a/src/USER-EFF/fix_npt_eff.cpp b/src/USER-EFF/fix_npt_eff.cpp index 02f09839b1..6aac7f3734 100644 --- a/src/USER-EFF/fix_npt_eff.cpp +++ b/src/USER-EFF/fix_npt_eff.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_eff.h" #include "modify.h" #include "error.h" diff --git a/src/USER-EFF/fix_nve_eff.cpp b/src/USER-EFF/fix_nve_eff.cpp index 09cd81a722..584714a44e 100644 --- a/src/USER-EFF/fix_nve_eff.cpp +++ b/src/USER-EFF/fix_nve_eff.cpp @@ -15,17 +15,16 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_nve_eff.h" #include "atom.h" #include "force.h" #include "update.h" #include "respa.h" #include "error.h" -#include #include "domain.h" using namespace LAMMPS_NS; diff --git a/src/USER-EFF/fix_nvt_eff.cpp b/src/USER-EFF/fix_nvt_eff.cpp index ab82f9e0f8..9e23ee023b 100644 --- a/src/USER-EFF/fix_nvt_eff.cpp +++ b/src/USER-EFF/fix_nvt_eff.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nvt_eff.h" #include "group.h" #include "modify.h" diff --git a/src/USER-EFF/fix_nvt_sllod_eff.cpp b/src/USER-EFF/fix_nvt_sllod_eff.cpp index 1b4ec1f3fb..f7b1a4ab2b 100644 --- a/src/USER-EFF/fix_nvt_sllod_eff.cpp +++ b/src/USER-EFF/fix_nvt_sllod_eff.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nvt_sllod_eff.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-EFF/fix_temp_rescale_eff.cpp b/src/USER-EFF/fix_temp_rescale_eff.cpp index 774cd1f2e3..37f45b3c28 100644 --- a/src/USER-EFF/fix_temp_rescale_eff.cpp +++ b/src/USER-EFF/fix_temp_rescale_eff.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_temp_rescale_eff.h" #include "atom.h" #include "force.h" diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp index 850c523629..0379c0264b 100644 --- a/src/USER-EFF/pair_eff_cut.cpp +++ b/src/USER-EFF/pair_eff_cut.cpp @@ -15,10 +15,10 @@ Contributing author: Andres Jaramillo-Botero ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_eff_cut.h" #include "pair_eff_inline.h" #include "atom.h" diff --git a/src/USER-FEP/compute_fep.cpp b/src/USER-FEP/compute_fep.cpp index bfa3bf7e2c..0e5f164f88 100644 --- a/src/USER-FEP/compute_fep.cpp +++ b/src/USER-FEP/compute_fep.cpp @@ -15,9 +15,9 @@ Contributing author: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include #include "comm.h" #include "update.h" diff --git a/src/USER-FEP/fix_adapt_fep.cpp b/src/USER-FEP/fix_adapt_fep.cpp index 1b7fc55942..3b8c9d4201 100644 --- a/src/USER-FEP/fix_adapt_fep.cpp +++ b/src/USER-FEP/fix_adapt_fep.cpp @@ -15,9 +15,9 @@ Charges by type and after option: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_adapt_fep.h" #include "atom.h" #include "update.h" diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp index a7ac8004fe..5bcb5a7522 100644 --- a/src/USER-FEP/pair_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_coul_cut_soft.cpp @@ -15,10 +15,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_cut_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_coul_long_soft.cpp b/src/USER-FEP/pair_coul_long_soft.cpp index 3d24a997dd..94bb3659fa 100644 --- a/src/USER-FEP/pair_coul_long_soft.cpp +++ b/src/USER-FEP/pair_coul_long_soft.cpp @@ -16,10 +16,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_long_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp index 06285a58d3..34758b159b 100644 --- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp @@ -16,10 +16,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_charmm_coul_long_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp index 9e52a16a02..fc887fbec5 100644 --- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp @@ -15,10 +15,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_cut_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp index 7be2ebabea..a9032ab4d7 100644 --- a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp @@ -16,10 +16,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_long_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp index 9ae108fa33..4aaa5c2925 100644 --- a/src/USER-FEP/pair_lj_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_soft.cpp @@ -16,10 +16,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp index 8d9162e564..8653800ee6 100644 --- a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp @@ -17,10 +17,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_tip4p_long_soft.h" #include "angle.h" #include "atom.h" diff --git a/src/USER-FEP/pair_morse_soft.cpp b/src/USER-FEP/pair_morse_soft.cpp index 1333bc28ca..7a897e1870 100644 --- a/src/USER-FEP/pair_morse_soft.cpp +++ b/src/USER-FEP/pair_morse_soft.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_morse_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-FEP/pair_tip4p_long_soft.cpp b/src/USER-FEP/pair_tip4p_long_soft.cpp index 7ad654d95c..5e8c5000f8 100644 --- a/src/USER-FEP/pair_tip4p_long_soft.cpp +++ b/src/USER-FEP/pair_tip4p_long_soft.cpp @@ -17,10 +17,10 @@ Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tip4p_long_soft.h" #include "angle.h" #include "atom.h" diff --git a/src/USER-H5MD/dump_h5md.cpp b/src/USER-H5MD/dump_h5md.cpp index 4e85b5c8b6..393871ae0b 100644 --- a/src/USER-H5MD/dump_h5md.cpp +++ b/src/USER-H5MD/dump_h5md.cpp @@ -15,11 +15,11 @@ Contributing author: Pierre de Buyl (KU Leuven) ------------------------------------------------------------------------- */ -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "ch5md.h" #include "dump_h5md.h" #include "domain.h" diff --git a/src/USER-INTEL/angle_charmm_intel.cpp b/src/USER-INTEL/angle_charmm_intel.cpp index bcaecb4696..672b70b6f6 100644 --- a/src/USER-INTEL/angle_charmm_intel.cpp +++ b/src/USER-INTEL/angle_charmm_intel.cpp @@ -15,8 +15,8 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_charmm_intel.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/angle_charmm_intel.h b/src/USER-INTEL/angle_charmm_intel.h index 342af31b8c..5d173ee6a9 100644 --- a/src/USER-INTEL/angle_charmm_intel.h +++ b/src/USER-INTEL/angle_charmm_intel.h @@ -24,7 +24,7 @@ AngleStyle(charmm/intel,AngleCharmmIntel) #ifndef LMP_ANGLE_CHARMM_INTEL_H #define LMP_ANGLE_CHARMM_INTEL_H -#include +#include #include "angle_charmm.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/angle_harmonic_intel.cpp b/src/USER-INTEL/angle_harmonic_intel.cpp index ffc81c496d..74639f3aeb 100644 --- a/src/USER-INTEL/angle_harmonic_intel.cpp +++ b/src/USER-INTEL/angle_harmonic_intel.cpp @@ -15,8 +15,8 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_harmonic_intel.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/angle_harmonic_intel.h b/src/USER-INTEL/angle_harmonic_intel.h index 301fc7cc06..e7768542a1 100644 --- a/src/USER-INTEL/angle_harmonic_intel.h +++ b/src/USER-INTEL/angle_harmonic_intel.h @@ -24,7 +24,7 @@ AngleStyle(harmonic/intel,AngleHarmonicIntel) #ifndef LMP_ANGLE_HARMONIC_INTEL_H #define LMP_ANGLE_HARMONIC_INTEL_H -#include +#include #include "angle_harmonic.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/bond_fene_intel.cpp b/src/USER-INTEL/bond_fene_intel.cpp index 004a2e5413..2d70049a89 100644 --- a/src/USER-INTEL/bond_fene_intel.cpp +++ b/src/USER-INTEL/bond_fene_intel.cpp @@ -15,8 +15,8 @@ Contributing author: Stan Moore (Sandia) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_fene_intel.h" #include "atom.h" #include "modify.h" diff --git a/src/USER-INTEL/bond_fene_intel.h b/src/USER-INTEL/bond_fene_intel.h index 89c3033096..afe3b85470 100644 --- a/src/USER-INTEL/bond_fene_intel.h +++ b/src/USER-INTEL/bond_fene_intel.h @@ -24,7 +24,7 @@ BondStyle(fene/intel,BondFENEIntel) #ifndef LMP_BOND_FENE_INTEL_H #define LMP_BOND_FENE_INTEL_H -#include +#include #include "bond_fene.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/bond_harmonic_intel.cpp b/src/USER-INTEL/bond_harmonic_intel.cpp index 0c714edc09..ed9cab082e 100644 --- a/src/USER-INTEL/bond_harmonic_intel.cpp +++ b/src/USER-INTEL/bond_harmonic_intel.cpp @@ -15,8 +15,8 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_harmonic_intel.h" #include "atom.h" #include "modify.h" diff --git a/src/USER-INTEL/bond_harmonic_intel.h b/src/USER-INTEL/bond_harmonic_intel.h index 8fc04f432a..b86a560d6e 100644 --- a/src/USER-INTEL/bond_harmonic_intel.h +++ b/src/USER-INTEL/bond_harmonic_intel.h @@ -24,7 +24,7 @@ BondStyle(harmonic/intel,BondHarmonicIntel) #ifndef LMP_BOND_HARMONIC_INTEL_H #define LMP_BOND_HARMONIC_INTEL_H -#include +#include #include "bond_harmonic.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/dihedral_charmm_intel.cpp b/src/USER-INTEL/dihedral_charmm_intel.cpp index c8429dc8ff..c9237e7309 100644 --- a/src/USER-INTEL/dihedral_charmm_intel.cpp +++ b/src/USER-INTEL/dihedral_charmm_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "dihedral_charmm_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/dihedral_fourier_intel.cpp b/src/USER-INTEL/dihedral_fourier_intel.cpp index c46617bbc2..6ad25f1ce4 100644 --- a/src/USER-INTEL/dihedral_fourier_intel.cpp +++ b/src/USER-INTEL/dihedral_fourier_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "dihedral_fourier_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/dihedral_harmonic_intel.cpp b/src/USER-INTEL/dihedral_harmonic_intel.cpp index b35ea4e03a..b2bf54102c 100644 --- a/src/USER-INTEL/dihedral_harmonic_intel.cpp +++ b/src/USER-INTEL/dihedral_harmonic_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "dihedral_harmonic_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/dihedral_opls_intel.cpp b/src/USER-INTEL/dihedral_opls_intel.cpp index 6b7b2c81eb..f85eb50b02 100644 --- a/src/USER-INTEL/dihedral_opls_intel.cpp +++ b/src/USER-INTEL/dihedral_opls_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "dihedral_opls_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp index d05e059578..124c7a9c76 100644 --- a/src/USER-INTEL/fix_intel.cpp +++ b/src/USER-INTEL/fix_intel.cpp @@ -29,10 +29,10 @@ #include "update.h" #include "fix_intel.h" -#include -#include -#include -#include +#include +#include +#include +#include #ifdef LAMMPS_BIGBIG #error "The USER-INTEL package is not compatible with -DLAMMPS_BIGBIG" diff --git a/src/USER-INTEL/fix_nh_intel.cpp b/src/USER-INTEL/fix_nh_intel.cpp index 6e44b38ef1..44253e8bb0 100644 --- a/src/USER-INTEL/fix_nh_intel.cpp +++ b/src/USER-INTEL/fix_nh_intel.cpp @@ -28,8 +28,8 @@ #include "update.h" #include -#include -#include +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-INTEL/fix_npt_intel.cpp b/src/USER-INTEL/fix_npt_intel.cpp index 56df3bba4b..bc0d297078 100644 --- a/src/USER-INTEL/fix_npt_intel.cpp +++ b/src/USER-INTEL/fix_npt_intel.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_intel.h" #include "modify.h" #include "error.h" diff --git a/src/USER-INTEL/fix_nve_asphere_intel.cpp b/src/USER-INTEL/fix_nve_asphere_intel.cpp index 8ad63f7326..17bbcff771 100644 --- a/src/USER-INTEL/fix_nve_asphere_intel.cpp +++ b/src/USER-INTEL/fix_nve_asphere_intel.cpp @@ -15,9 +15,9 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_asphere_intel.h" #include "math_extra_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/fix_nvt_intel.cpp b/src/USER-INTEL/fix_nvt_intel.cpp index 3fe712c9ab..547039ff23 100644 --- a/src/USER-INTEL/fix_nvt_intel.cpp +++ b/src/USER-INTEL/fix_nvt_intel.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_intel.h" #include "group.h" #include "modify.h" diff --git a/src/USER-INTEL/fix_nvt_sllod_intel.cpp b/src/USER-INTEL/fix_nvt_sllod_intel.cpp index bab748ad74..5684f46903 100644 --- a/src/USER-INTEL/fix_nvt_sllod_intel.cpp +++ b/src/USER-INTEL/fix_nvt_sllod_intel.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nvt_sllod_intel.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-INTEL/improper_cvff_intel.cpp b/src/USER-INTEL/improper_cvff_intel.cpp index 39090e5a74..e0ef2162d1 100644 --- a/src/USER-INTEL/improper_cvff_intel.cpp +++ b/src/USER-INTEL/improper_cvff_intel.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_cvff_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/improper_cvff_intel.h b/src/USER-INTEL/improper_cvff_intel.h index cb5da25f99..e815fa75c9 100644 --- a/src/USER-INTEL/improper_cvff_intel.h +++ b/src/USER-INTEL/improper_cvff_intel.h @@ -24,7 +24,7 @@ ImproperStyle(cvff/intel,ImproperCvffIntel) #ifndef LMP_IMPROPER_CVFF_INTEL_H #define LMP_IMPROPER_CVFF_INTEL_H -#include +#include #include "improper_cvff.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/improper_harmonic_intel.cpp b/src/USER-INTEL/improper_harmonic_intel.cpp index 3547061672..60cbe16358 100644 --- a/src/USER-INTEL/improper_harmonic_intel.cpp +++ b/src/USER-INTEL/improper_harmonic_intel.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_harmonic_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/improper_harmonic_intel.h b/src/USER-INTEL/improper_harmonic_intel.h index 0b759b4e43..ce38e8fc31 100644 --- a/src/USER-INTEL/improper_harmonic_intel.h +++ b/src/USER-INTEL/improper_harmonic_intel.h @@ -24,7 +24,7 @@ ImproperStyle(harmonic/intel,ImproperHarmonicIntel) #ifndef LMP_IMPROPER_HARMONIC_INTEL_H #define LMP_IMPROPER_HARMONIC_INTEL_H -#include +#include #include "improper_harmonic.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/intel_buffers.cpp b/src/USER-INTEL/intel_buffers.cpp index 8948abe172..1b31ec7fc2 100644 --- a/src/USER-INTEL/intel_buffers.cpp +++ b/src/USER-INTEL/intel_buffers.cpp @@ -12,7 +12,7 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include +#include #include "intel_buffers.h" #include "force.h" #include "memory.h" diff --git a/src/USER-INTEL/intel_intrinsics_airebo.h b/src/USER-INTEL/intel_intrinsics_airebo.h index f17fd69856..d055ed549a 100644 --- a/src/USER-INTEL/intel_intrinsics_airebo.h +++ b/src/USER-INTEL/intel_intrinsics_airebo.h @@ -744,7 +744,7 @@ struct intr_types { #include #include -#include +#include #define VEC_INLINE __attribute__((always_inline)) diff --git a/src/USER-INTEL/intel_simd.h b/src/USER-INTEL/intel_simd.h index 4616f628e7..e9d5d92995 100644 --- a/src/USER-INTEL/intel_simd.h +++ b/src/USER-INTEL/intel_simd.h @@ -29,7 +29,7 @@ authors for more details. #ifndef INTEL_SIMD_H #define INTEL_SIMD_H -#include +#include #include "intel_preprocess.h" #include "immintrin.h" diff --git a/src/USER-INTEL/pair_airebo_intel.cpp b/src/USER-INTEL/pair_airebo_intel.cpp index 43e0bb7eed..f4071903aa 100644 --- a/src/USER-INTEL/pair_airebo_intel.cpp +++ b/src/USER-INTEL/pair_airebo_intel.cpp @@ -19,12 +19,13 @@ #pragma offload_attribute(push, target(mic)) #endif #include -#include -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include +#include +#include #include "lmptype.h" #include "intel_preprocess.h" #include "intel_intrinsics_airebo.h" @@ -35,7 +36,6 @@ #if defined(_OPENMP) #include #endif -#include #include "pair_airebo_intel.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp index e32fd06660..71aad95bc5 100644 --- a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp +++ b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp @@ -15,10 +15,10 @@ Contributing author: Rodrigo Canales (RWTH Aachen University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_cut_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_buck_coul_long_intel.cpp b/src/USER-INTEL/pair_buck_coul_long_intel.cpp index 2b9fea7a50..bba8a7b5e7 100644 --- a/src/USER-INTEL/pair_buck_coul_long_intel.cpp +++ b/src/USER-INTEL/pair_buck_coul_long_intel.cpp @@ -15,10 +15,10 @@ Contributing author: Rodrigo Canales (RWTH Aachen University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_coul_long_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_buck_intel.cpp b/src/USER-INTEL/pair_buck_intel.cpp index 05a28eb7f0..f5dde26393 100644 --- a/src/USER-INTEL/pair_buck_intel.cpp +++ b/src/USER-INTEL/pair_buck_intel.cpp @@ -15,7 +15,7 @@ Contributing author: Rodrigo Canales (RWTH Aachen University) ------------------------------------------------------------------------- */ -#include +#include #include "pair_buck_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_dpd_intel.cpp b/src/USER-INTEL/pair_dpd_intel.cpp index 60361cac79..cb8c06cacc 100644 --- a/src/USER-INTEL/pair_dpd_intel.cpp +++ b/src/USER-INTEL/pair_dpd_intel.cpp @@ -13,7 +13,7 @@ Shun Xu (Computer Network Information Center, CAS) ------------------------------------------------------------------------- */ -#include +#include #include "pair_dpd_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_eam_alloy_intel.cpp b/src/USER-INTEL/pair_eam_alloy_intel.cpp index 4f47c7ee23..192b39b2e8 100644 --- a/src/USER-INTEL/pair_eam_alloy_intel.cpp +++ b/src/USER-INTEL/pair_eam_alloy_intel.cpp @@ -15,9 +15,9 @@ Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_alloy_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_eam_fs_intel.cpp b/src/USER-INTEL/pair_eam_fs_intel.cpp index cfcc8200cc..61bb6e0b4d 100644 --- a/src/USER-INTEL/pair_eam_fs_intel.cpp +++ b/src/USER-INTEL/pair_eam_fs_intel.cpp @@ -15,9 +15,9 @@ Contributing authors: Tim Lau (MIT) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_fs_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_eam_intel.cpp b/src/USER-INTEL/pair_eam_intel.cpp index ea4ee30d52..94799cdba2 100644 --- a/src/USER-INTEL/pair_eam_intel.cpp +++ b/src/USER-INTEL/pair_eam_intel.cpp @@ -15,10 +15,10 @@ Contributing authors: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_eam_intel.h" #include "atom.h" #include "force.h" diff --git a/src/USER-INTEL/pair_eam_intel.h b/src/USER-INTEL/pair_eam_intel.h index f34e740bda..83b1fbf6a1 100644 --- a/src/USER-INTEL/pair_eam_intel.h +++ b/src/USER-INTEL/pair_eam_intel.h @@ -20,7 +20,7 @@ PairStyle(eam/intel,PairEAMIntel) #ifndef LMP_PAIR_EAM_INTEL_H #define LMP_PAIR_EAM_INTEL_H -#include +#include #include "pair_eam.h" #include "fix_intel.h" diff --git a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp index b36e594f54..7485395bef 100644 --- a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp +++ b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp @@ -12,7 +12,7 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_charmm_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp index a2680cdff4..25cca59714 100644 --- a/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp +++ b/src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp @@ -12,7 +12,7 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_long_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp index c0bf6f35c6..cb7381270d 100644 --- a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp +++ b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp @@ -12,7 +12,7 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_long_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_lj_cut_intel.cpp b/src/USER-INTEL/pair_lj_cut_intel.cpp index f5a7999ee2..b16f6230cc 100644 --- a/src/USER-INTEL/pair_lj_cut_intel.cpp +++ b/src/USER-INTEL/pair_lj_cut_intel.cpp @@ -12,7 +12,7 @@ Contributing author: W. Michael Brown (Intel) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp index 86929d41ea..8b9670f419 100644 --- a/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp +++ b/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp @@ -15,7 +15,7 @@ Contributing authors: William McDoniel (RWTH Aachen University) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_long_coul_long_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_sw_intel.cpp b/src/USER-INTEL/pair_sw_intel.cpp index 2c28fcfd94..421de91ee9 100644 --- a/src/USER-INTEL/pair_sw_intel.cpp +++ b/src/USER-INTEL/pair_sw_intel.cpp @@ -25,9 +25,9 @@ #pragma offload_attribute(pop) #endif -#include -#include -#include +#include +#include +#include #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/USER-INTEL/pair_tersoff_intel.cpp b/src/USER-INTEL/pair_tersoff_intel.cpp index a59fe12f5b..c772546928 100644 --- a/src/USER-INTEL/pair_tersoff_intel.cpp +++ b/src/USER-INTEL/pair_tersoff_intel.cpp @@ -15,10 +15,10 @@ Contributing author: Markus Höhnerbach (RWTH) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_intel.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/pppm_disp_intel.cpp b/src/USER-INTEL/pppm_disp_intel.cpp index 52e418c713..0a41e5d8a5 100644 --- a/src/USER-INTEL/pppm_disp_intel.cpp +++ b/src/USER-INTEL/pppm_disp_intel.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "pppm_disp_intel.h" #include "atom.h" #include "comm.h" @@ -728,7 +728,7 @@ void PPPMDispIntel::particle_map(double delx, double dely, double delz, int nlocal = atom->nlocal; int nthr = comm->nthreads; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int flag = 0; diff --git a/src/USER-INTEL/pppm_intel.cpp b/src/USER-INTEL/pppm_intel.cpp index 1fd267be51..46a55e558a 100644 --- a/src/USER-INTEL/pppm_intel.cpp +++ b/src/USER-INTEL/pppm_intel.cpp @@ -19,8 +19,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "pppm_intel.h" #include "atom.h" #include "comm.h" @@ -358,7 +358,7 @@ void PPPMIntel::particle_map(IntelBuffers *buffers) int flag = 0; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); #if defined(_OPENMP) diff --git a/src/USER-INTEL/verlet_lrt_intel.cpp b/src/USER-INTEL/verlet_lrt_intel.cpp index 1b9c305e9c..962202e228 100644 --- a/src/USER-INTEL/verlet_lrt_intel.cpp +++ b/src/USER-INTEL/verlet_lrt_intel.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "verlet_lrt_intel.h" #include "neighbor.h" #include "domain.h" diff --git a/src/USER-LB/fix_lb_fluid.cpp b/src/USER-LB/fix_lb_fluid.cpp index 638901d6b3..7a0bd0572e 100644 --- a/src/USER-LB/fix_lb_fluid.cpp +++ b/src/USER-LB/fix_lb_fluid.cpp @@ -17,11 +17,11 @@ ------------------------------------------------------------------------- */ #include "fix_lb_fluid.h" -#include +#include #include -#include -#include -#include +#include +#include +#include #include "comm.h" #include "memory.h" #include "error.h" diff --git a/src/USER-LB/fix_lb_momentum.cpp b/src/USER-LB/fix_lb_momentum.cpp index d604d8fed4..6cf2d3bfd0 100644 --- a/src/USER-LB/fix_lb_momentum.cpp +++ b/src/USER-LB/fix_lb_momentum.cpp @@ -18,8 +18,8 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_lb_momentum.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-LB/fix_lb_pc.cpp b/src/USER-LB/fix_lb_pc.cpp index c4d7cf70d3..9fd0dab51d 100644 --- a/src/USER-LB/fix_lb_pc.cpp +++ b/src/USER-LB/fix_lb_pc.cpp @@ -15,9 +15,9 @@ Contributing authors: Frances Mackay, Santtu Ollila, Colin Denniston (UWO) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_lb_pc.h" #include "atom.h" #include "force.h" diff --git a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp index 42e8eae3d2..dddd060fa4 100644 --- a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp +++ b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp @@ -16,10 +16,10 @@ Based on fix_rigid (version from 2008). ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_lb_rigid_pc_sphere.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-LB/fix_lb_viscous.cpp b/src/USER-LB/fix_lb_viscous.cpp index 0e156bc46c..8ee4d8419e 100644 --- a/src/USER-LB/fix_lb_viscous.cpp +++ b/src/USER-LB/fix_lb_viscous.cpp @@ -15,9 +15,9 @@ Contributing authors: Frances Mackay, Santtu Ollila, Colin Denniston (UWO) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_lb_viscous.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MANIFOLD/fix_manifoldforce.cpp b/src/USER-MANIFOLD/fix_manifoldforce.cpp index e66b7c9fc2..ab33b5bc97 100644 --- a/src/USER-MANIFOLD/fix_manifoldforce.cpp +++ b/src/USER-MANIFOLD/fix_manifoldforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp index a8ce87ef11..4dcc3f9704 100644 --- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp +++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp @@ -32,16 +32,16 @@ ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom.h" #include "force.h" #include "update.h" #include "respa.h" #include "error.h" #include "group.h" -#include +#include #include "input.h" #include "variable.h" #include "citeme.h" diff --git a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp index 38e8c6a265..973a5bcf43 100644 --- a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp +++ b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp @@ -32,16 +32,16 @@ ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "atom.h" #include "force.h" #include "update.h" #include "respa.h" #include "error.h" #include "group.h" -#include #include "input.h" #include "variable.h" #include "citeme.h" diff --git a/src/USER-MANIFOLD/manifold.h b/src/USER-MANIFOLD/manifold.h index f0d56ffd82..6eb09010ef 100644 --- a/src/USER-MANIFOLD/manifold.h +++ b/src/USER-MANIFOLD/manifold.h @@ -38,7 +38,7 @@ #define LMP_MANIFOLD_H #include "pointers.h" -#include +#include namespace LAMMPS_NS { namespace user_manifold { diff --git a/src/USER-MANIFOLD/manifold_cylinder_dent.cpp b/src/USER-MANIFOLD/manifold_cylinder_dent.cpp index 687e311c9c..21d4087d7c 100644 --- a/src/USER-MANIFOLD/manifold_cylinder_dent.cpp +++ b/src/USER-MANIFOLD/manifold_cylinder_dent.cpp @@ -1,7 +1,7 @@ #include "manifold_cylinder_dent.h" #include "math_const.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/USER-MANIFOLD/manifold_dumbbell.cpp b/src/USER-MANIFOLD/manifold_dumbbell.cpp index ed1583ac9a..fa7edc6e4a 100644 --- a/src/USER-MANIFOLD/manifold_dumbbell.cpp +++ b/src/USER-MANIFOLD/manifold_dumbbell.cpp @@ -1,6 +1,6 @@ #include "manifold_dumbbell.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/USER-MANIFOLD/manifold_factory.h b/src/USER-MANIFOLD/manifold_factory.h index 7fdd0a6de5..cc3e1245bf 100644 --- a/src/USER-MANIFOLD/manifold_factory.h +++ b/src/USER-MANIFOLD/manifold_factory.h @@ -37,7 +37,7 @@ #include "manifold.h" -#include +#include /* * Defining USE_PHONY_LAMMPS makes sure that none of the LAMMPS classes are diff --git a/src/USER-MANIFOLD/manifold_plane_wiggle.cpp b/src/USER-MANIFOLD/manifold_plane_wiggle.cpp index 136c52ab36..ccf0a794da 100644 --- a/src/USER-MANIFOLD/manifold_plane_wiggle.cpp +++ b/src/USER-MANIFOLD/manifold_plane_wiggle.cpp @@ -1,6 +1,6 @@ #include "manifold_plane_wiggle.h" -#include +#include using namespace LAMMPS_NS; using namespace user_manifold; diff --git a/src/USER-MANIFOLD/manifold_spine.cpp b/src/USER-MANIFOLD/manifold_spine.cpp index 1081ab673e..308190c528 100644 --- a/src/USER-MANIFOLD/manifold_spine.cpp +++ b/src/USER-MANIFOLD/manifold_spine.cpp @@ -1,6 +1,6 @@ #include "manifold_spine.h" -#include +#include #include "math_special.h" using namespace LAMMPS_NS; diff --git a/src/USER-MANIFOLD/manifold_thylakoid.cpp b/src/USER-MANIFOLD/manifold_thylakoid.cpp index 4bb2b71331..b7eb155ba2 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid.cpp +++ b/src/USER-MANIFOLD/manifold_thylakoid.cpp @@ -1,5 +1,5 @@ #include "manifold_thylakoid.h" -#include +#include #include "comm.h" #include "domain.h" // For some checks regarding the simulation box. @@ -85,7 +85,7 @@ double manifold_thylakoid::g( const double *x ) error->one(FLERR,msg); } double con_val = p->g(x); - if( ISFINITE(con_val) ){ + if( std::isfinite(con_val) ){ return con_val; }else{ char msg[2048]; @@ -107,7 +107,7 @@ void manifold_thylakoid::n( const double *x, double *n ) error->one(FLERR,msg); } p->n(x,n); - if( ISFINITE(n[0]) && ISFINITE(n[1]) && ISFINITE(n[2]) ){ + if( std::isfinite(n[0]) && std::isfinite(n[1]) && std::isfinite(n[2]) ){ return; }else{ char msg[2048]; diff --git a/src/USER-MANIFOLD/manifold_thylakoid.h b/src/USER-MANIFOLD/manifold_thylakoid.h index 231525950d..5e5d3b9c41 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid.h +++ b/src/USER-MANIFOLD/manifold_thylakoid.h @@ -3,7 +3,7 @@ #include "manifold.h" #include -#include +#include #include "manifold_thylakoid_shared.h" diff --git a/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp b/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp index 5b87ba7c2b..4c4297f822 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp +++ b/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp @@ -1,5 +1,5 @@ #include "manifold_thylakoid_shared.h" -#include +#include using namespace LAMMPS_NS; using namespace user_manifold; diff --git a/src/USER-MANIFOLD/manifold_torus.cpp b/src/USER-MANIFOLD/manifold_torus.cpp index b46998b28d..44a17725b5 100644 --- a/src/USER-MANIFOLD/manifold_torus.cpp +++ b/src/USER-MANIFOLD/manifold_torus.cpp @@ -1,4 +1,4 @@ -#include +#include #include "manifold_torus.h" #include "error.h" diff --git a/src/USER-MEAMC/meam.h b/src/USER-MEAMC/meam.h index 4e86df62d5..8a439a2118 100644 --- a/src/USER-MEAMC/meam.h +++ b/src/USER-MEAMC/meam.h @@ -2,8 +2,8 @@ #define LMP_MEAM_H #include "memory.h" -#include -#include +#include +#include #define maxelt 5 diff --git a/src/USER-MEAMC/meam_funcs.cpp b/src/USER-MEAMC/meam_funcs.cpp index 3b7c114d5c..599e9019d9 100644 --- a/src/USER-MEAMC/meam_funcs.cpp +++ b/src/USER-MEAMC/meam_funcs.cpp @@ -17,7 +17,7 @@ #include "meam.h" #include "math_special.h" -#include +#include using namespace LAMMPS_NS; diff --git a/src/USER-MEAMC/meam_setup_global.cpp b/src/USER-MEAMC/meam_setup_global.cpp index 7062d5ebca..7f8ad3d81f 100644 --- a/src/USER-MEAMC/meam_setup_global.cpp +++ b/src/USER-MEAMC/meam_setup_global.cpp @@ -1,5 +1,5 @@ #include "meam.h" -#include +#include using namespace LAMMPS_NS; void diff --git a/src/USER-MEAMC/pair_meamc.cpp b/src/USER-MEAMC/pair_meamc.cpp index 2404005fdf..027e4c27a7 100644 --- a/src/USER-MEAMC/pair_meamc.cpp +++ b/src/USER-MEAMC/pair_meamc.cpp @@ -15,10 +15,10 @@ Contributing author: Greg Wagner (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "meam.h" #include "pair_meamc.h" #include "atom.h" diff --git a/src/USER-MESO/atom_vec_edpd.cpp b/src/USER-MESO/atom_vec_edpd.cpp index c8f1421512..d956e914b5 100644 --- a/src/USER-MESO/atom_vec_edpd.cpp +++ b/src/USER-MESO/atom_vec_edpd.cpp @@ -10,8 +10,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_edpd.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MESO/atom_vec_mdpd.cpp b/src/USER-MESO/atom_vec_mdpd.cpp index 1d81bd2c39..5bc5e212ff 100644 --- a/src/USER-MESO/atom_vec_mdpd.cpp +++ b/src/USER-MESO/atom_vec_mdpd.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_mdpd.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MESO/atom_vec_tdpd.cpp b/src/USER-MESO/atom_vec_tdpd.cpp index 6733e3e4df..aa0dc93809 100644 --- a/src/USER-MESO/atom_vec_tdpd.cpp +++ b/src/USER-MESO/atom_vec_tdpd.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_tdpd.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MESO/compute_edpd_temp_atom.cpp b/src/USER-MESO/compute_edpd_temp_atom.cpp index 15fdab2a69..119e0079d1 100644 --- a/src/USER-MESO/compute_edpd_temp_atom.cpp +++ b/src/USER-MESO/compute_edpd_temp_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_edpd_temp_atom.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MESO/compute_tdpd_cc_atom.cpp b/src/USER-MESO/compute_tdpd_cc_atom.cpp index b33550f5c1..6378ed5ef6 100644 --- a/src/USER-MESO/compute_tdpd_cc_atom.cpp +++ b/src/USER-MESO/compute_tdpd_cc_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_tdpd_cc_atom.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MESO/fix_edpd_source.cpp b/src/USER-MESO/fix_edpd_source.cpp index fb8fecdcdf..56e855ad0c 100644 --- a/src/USER-MESO/fix_edpd_source.cpp +++ b/src/USER-MESO/fix_edpd_source.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_edpd_source.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MESO/fix_mvv_dpd.cpp b/src/USER-MESO/fix_mvv_dpd.cpp index c1c4f203f1..c97a2d779c 100644 --- a/src/USER-MESO/fix_mvv_dpd.cpp +++ b/src/USER-MESO/fix_mvv_dpd.cpp @@ -20,8 +20,8 @@ Email: zhen_li@brown.edu ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_mvv_dpd.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MESO/fix_mvv_edpd.cpp b/src/USER-MESO/fix_mvv_edpd.cpp index 12c8bbcafb..89a831e121 100644 --- a/src/USER-MESO/fix_mvv_edpd.cpp +++ b/src/USER-MESO/fix_mvv_edpd.cpp @@ -29,8 +29,8 @@ Communications, 2015, 51: 11038-11040. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_mvv_edpd.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MESO/fix_mvv_tdpd.cpp b/src/USER-MESO/fix_mvv_tdpd.cpp index 58832e0846..e16171800b 100644 --- a/src/USER-MESO/fix_mvv_tdpd.cpp +++ b/src/USER-MESO/fix_mvv_tdpd.cpp @@ -25,8 +25,8 @@ -reaction problems". The Journal of Chemical Physics, 2015, 143: 014101. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_mvv_tdpd.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MESO/fix_tdpd_source.cpp b/src/USER-MESO/fix_tdpd_source.cpp index c58dff76be..21fecdf49d 100644 --- a/src/USER-MESO/fix_tdpd_source.cpp +++ b/src/USER-MESO/fix_tdpd_source.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_tdpd_source.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MESO/pair_edpd.cpp b/src/USER-MESO/pair_edpd.cpp index 64d29cb65d..f1d9c215b4 100644 --- a/src/USER-MESO/pair_edpd.cpp +++ b/src/USER-MESO/pair_edpd.cpp @@ -16,9 +16,11 @@ Email: zhen_li@brown.edu ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include +#include #include "pair_edpd.h" #include "atom.h" #include "atom_vec.h" @@ -31,8 +33,6 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include -#include using namespace LAMMPS_NS; diff --git a/src/USER-MESO/pair_mdpd.cpp b/src/USER-MESO/pair_mdpd.cpp index 1b8cd45be9..f9acd3dbe1 100644 --- a/src/USER-MESO/pair_mdpd.cpp +++ b/src/USER-MESO/pair_mdpd.cpp @@ -16,9 +16,10 @@ Email: zhen_li@brown.edu ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_mdpd.h" #include "atom.h" #include "atom_vec.h" @@ -31,7 +32,6 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include using namespace LAMMPS_NS; diff --git a/src/USER-MESO/pair_mdpd_rhosum.cpp b/src/USER-MESO/pair_mdpd_rhosum.cpp index ecfc9d5c00..1264d03ed3 100644 --- a/src/USER-MESO/pair_mdpd_rhosum.cpp +++ b/src/USER-MESO/pair_mdpd_rhosum.cpp @@ -19,8 +19,8 @@ Contributing author: Zhen Li (Brown University) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_mdpd_rhosum.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MESO/pair_tdpd.cpp b/src/USER-MESO/pair_tdpd.cpp index 71dbaaba83..0d0d2a3a0a 100644 --- a/src/USER-MESO/pair_tdpd.cpp +++ b/src/USER-MESO/pair_tdpd.cpp @@ -16,9 +16,10 @@ Email: zhen_li@brown.edu ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include #include "pair_tdpd.h" #include "atom.h" #include "atom_vec.h" @@ -31,7 +32,6 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include using namespace LAMMPS_NS; diff --git a/src/USER-MISC/angle_cosine_shift.cpp b/src/USER-MISC/angle_cosine_shift.cpp index 66f5c82c84..d782497d0f 100644 --- a/src/USER-MISC/angle_cosine_shift.cpp +++ b/src/USER-MISC/angle_cosine_shift.cpp @@ -15,8 +15,8 @@ Contributing author: Carsten Svaneborg, science@zqex.dk ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine_shift.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/angle_cosine_shift.h b/src/USER-MISC/angle_cosine_shift.h index b8ab74ee43..030709a0e2 100644 --- a/src/USER-MISC/angle_cosine_shift.h +++ b/src/USER-MISC/angle_cosine_shift.h @@ -20,7 +20,7 @@ AngleStyle(cosine/shift,AngleCosineShift) #ifndef LMP_ANGLE_COSINE_SHIFT_H #define LMP_ANGLE_COSINE_SHIFT_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/angle_cosine_shift_exp.cpp b/src/USER-MISC/angle_cosine_shift_exp.cpp index 6d11c6894e..0312d3b36d 100644 --- a/src/USER-MISC/angle_cosine_shift_exp.cpp +++ b/src/USER-MISC/angle_cosine_shift_exp.cpp @@ -15,8 +15,8 @@ Contributing author: Carsten Svaneborg, science@zqex.dk ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine_shift_exp.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/angle_cosine_shift_exp.h b/src/USER-MISC/angle_cosine_shift_exp.h index 4db9e1f696..8b8e389380 100644 --- a/src/USER-MISC/angle_cosine_shift_exp.h +++ b/src/USER-MISC/angle_cosine_shift_exp.h @@ -18,7 +18,7 @@ AngleStyle(cosine/shift/exp,AngleCosineShiftExp) #ifndef LMP_ANGLE_COSINE_SHIFT_EXP_H #define LMP_ANGLE_COSINE_SHIFT_EXP_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/angle_dipole.cpp b/src/USER-MISC/angle_dipole.cpp index 1e8c0e18fb..0fa8d3674d 100644 --- a/src/USER-MISC/angle_dipole.cpp +++ b/src/USER-MISC/angle_dipole.cpp @@ -15,8 +15,8 @@ Contributing authors: Mario Orsi & Wei Ding (QMUL), m.orsi@qmul.ac.uk ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_dipole.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/angle_dipole.h b/src/USER-MISC/angle_dipole.h index 347eecfca4..6c5dccb803 100644 --- a/src/USER-MISC/angle_dipole.h +++ b/src/USER-MISC/angle_dipole.h @@ -20,7 +20,7 @@ AngleStyle(dipole,AngleDipole) #ifndef LMP_ANGLE_DIPOLE_H #define LMP_ANGLE_DIPOLE_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/angle_fourier.cpp b/src/USER-MISC/angle_fourier.cpp index 689caeaa5f..85e3e8f036 100644 --- a/src/USER-MISC/angle_fourier.cpp +++ b/src/USER-MISC/angle_fourier.cpp @@ -16,8 +16,8 @@ [ based on angle_cosine_squared.cpp Naveen Michaud-Agrawal (Johns Hopkins U)] ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_fourier.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/angle_fourier.h b/src/USER-MISC/angle_fourier.h index da5c96479f..14b4eedf57 100644 --- a/src/USER-MISC/angle_fourier.h +++ b/src/USER-MISC/angle_fourier.h @@ -20,7 +20,7 @@ AngleStyle(fourier,AngleFourier) #ifndef ANGLE_FOURIER_H #define ANGLE_FOURIER_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/angle_fourier_simple.cpp b/src/USER-MISC/angle_fourier_simple.cpp index bd4322fe78..83fc00c116 100644 --- a/src/USER-MISC/angle_fourier_simple.cpp +++ b/src/USER-MISC/angle_fourier_simple.cpp @@ -16,8 +16,8 @@ [ based on angle_cosine_squared.cpp Naveen Michaud-Agrawal (Johns Hopkins U)] ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_fourier_simple.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/angle_fourier_simple.h b/src/USER-MISC/angle_fourier_simple.h index ca160f185d..3a7bd37750 100644 --- a/src/USER-MISC/angle_fourier_simple.h +++ b/src/USER-MISC/angle_fourier_simple.h @@ -20,7 +20,7 @@ AngleStyle(fourier/simple,AngleFourierSimple) #ifndef ANGLE_FOURIER_SIMPLE_H #define ANGLE_FOURIER_SIMPLE_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/angle_quartic.cpp b/src/USER-MISC/angle_quartic.cpp index 5d990003a8..356f2df5d4 100644 --- a/src/USER-MISC/angle_quartic.cpp +++ b/src/USER-MISC/angle_quartic.cpp @@ -16,8 +16,8 @@ [ based on angle_harmonic.cpp] ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_quartic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/angle_quartic.h b/src/USER-MISC/angle_quartic.h index 8844ad111d..7043cab064 100644 --- a/src/USER-MISC/angle_quartic.h +++ b/src/USER-MISC/angle_quartic.h @@ -20,7 +20,7 @@ AngleStyle(quartic,AngleQuartic) #ifndef LMP_ANGLE_QUARTIC_H #define LMP_ANGLE_QUARTIC_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/bond_harmonic_shift.cpp b/src/USER-MISC/bond_harmonic_shift.cpp index 70db2cc2bd..7148c5438d 100644 --- a/src/USER-MISC/bond_harmonic_shift.cpp +++ b/src/USER-MISC/bond_harmonic_shift.cpp @@ -15,8 +15,8 @@ Contributing author: Carsten Svaneborg, science@zqex.dk ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_harmonic_shift.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/bond_harmonic_shift.h b/src/USER-MISC/bond_harmonic_shift.h index 95dc091a62..ff0d358243 100644 --- a/src/USER-MISC/bond_harmonic_shift.h +++ b/src/USER-MISC/bond_harmonic_shift.h @@ -20,7 +20,7 @@ BondStyle(harmonic/shift,BondHarmonicShift) #ifndef LMP_BOND_HARMONIC_SHIFT_H #define LMP_BOND_HARMONIC_SHIFT_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/bond_harmonic_shift_cut.cpp b/src/USER-MISC/bond_harmonic_shift_cut.cpp index aa0091019d..20c8a1a300 100644 --- a/src/USER-MISC/bond_harmonic_shift_cut.cpp +++ b/src/USER-MISC/bond_harmonic_shift_cut.cpp @@ -15,8 +15,8 @@ Contributing author: Carsten Svaneborg, science@zqex.dk ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "bond_harmonic_shift_cut.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/bond_harmonic_shift_cut.h b/src/USER-MISC/bond_harmonic_shift_cut.h index 9b2587936e..5db76d51aa 100644 --- a/src/USER-MISC/bond_harmonic_shift_cut.h +++ b/src/USER-MISC/bond_harmonic_shift_cut.h @@ -20,7 +20,7 @@ BondStyle(harmonic/shift/cut,BondHarmonicShiftCut) #ifndef LMP_BOND_HARMONIC_SHIFT_CUT_H #define LMP_BOND_HARMONIC_SHIFT_CUT_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/compute_ackland_atom.cpp b/src/USER-MISC/compute_ackland_atom.cpp index 285f64a5e9..dcf17ca489 100644 --- a/src/USER-MISC/compute_ackland_atom.cpp +++ b/src/USER-MISC/compute_ackland_atom.cpp @@ -16,7 +16,8 @@ Copyright (C) 2007 ------------------------------------------------------------------------- */ -#include +#include +#include #include "compute_ackland_atom.h" #include "atom.h" #include "update.h" @@ -29,7 +30,6 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include using namespace LAMMPS_NS; diff --git a/src/USER-MISC/compute_basal_atom.cpp b/src/USER-MISC/compute_basal_atom.cpp index cd393eb2ac..1da43a6baf 100644 --- a/src/USER-MISC/compute_basal_atom.cpp +++ b/src/USER-MISC/compute_basal_atom.cpp @@ -16,7 +16,8 @@ Copyright (C) 2013 ------------------------------------------------------------------------- */ -#include +#include +#include #include "compute_basal_atom.h" #include "atom.h" #include "update.h" @@ -29,7 +30,6 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include using namespace LAMMPS_NS; diff --git a/src/USER-MISC/compute_cnp_atom.cpp b/src/USER-MISC/compute_cnp_atom.cpp index f479486b79..51cf3ab07a 100644 --- a/src/USER-MISC/compute_cnp_atom.cpp +++ b/src/USER-MISC/compute_cnp_atom.cpp @@ -21,9 +21,9 @@ branicio@usc.edu ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_cnp_atom.h" #include "atom.h" diff --git a/src/USER-MISC/compute_pressure_grem.cpp b/src/USER-MISC/compute_pressure_grem.cpp index ae9179cc43..087c01bd8e 100644 --- a/src/USER-MISC/compute_pressure_grem.cpp +++ b/src/USER-MISC/compute_pressure_grem.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_pressure_grem.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/compute_temp_rotate.cpp b/src/USER-MISC/compute_temp_rotate.cpp index b948738e00..66f1b8f5f7 100644 --- a/src/USER-MISC/compute_temp_rotate.cpp +++ b/src/USER-MISC/compute_temp_rotate.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_temp_rotate.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.cpp b/src/USER-MISC/dihedral_cosine_shift_exp.cpp index 85ff4b2719..2539095308 100644 --- a/src/USER-MISC/dihedral_cosine_shift_exp.cpp +++ b/src/USER-MISC/dihedral_cosine_shift_exp.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "dihedral_cosine_shift_exp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.h b/src/USER-MISC/dihedral_cosine_shift_exp.h index 819fd769cb..ca4d08f191 100644 --- a/src/USER-MISC/dihedral_cosine_shift_exp.h +++ b/src/USER-MISC/dihedral_cosine_shift_exp.h @@ -20,7 +20,7 @@ DihedralStyle(cosine/shift/exp,DihedralCosineShiftExp) #ifndef LMP_DIHEDRAL_COSINE_SHIFT_EXP_H #define LMP_DIHEDRAL_COSINE_SHIFT_EXP_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/dihedral_fourier.cpp b/src/USER-MISC/dihedral_fourier.cpp index fff10fde11..7c405ee28c 100644 --- a/src/USER-MISC/dihedral_fourier.cpp +++ b/src/USER-MISC/dihedral_fourier.cpp @@ -17,8 +17,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "dihedral_fourier.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/dihedral_fourier.h b/src/USER-MISC/dihedral_fourier.h index 4cdb7f2226..c1ed843c34 100644 --- a/src/USER-MISC/dihedral_fourier.h +++ b/src/USER-MISC/dihedral_fourier.h @@ -20,7 +20,7 @@ DihedralStyle(fourier,DihedralFourier) #ifndef LMP_DIHEDRAL_FOURIER_H #define LMP_DIHEDRAL_FOURIER_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/dihedral_nharmonic.cpp b/src/USER-MISC/dihedral_nharmonic.cpp index abb5904b6a..f8e8850680 100644 --- a/src/USER-MISC/dihedral_nharmonic.cpp +++ b/src/USER-MISC/dihedral_nharmonic.cpp @@ -16,8 +16,8 @@ [ based on dihedral_multi_harmonic.cpp Mathias Puetz (SNL) and friends ] ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_nharmonic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/dihedral_nharmonic.h b/src/USER-MISC/dihedral_nharmonic.h index 2e8050feb9..7c6a35b200 100644 --- a/src/USER-MISC/dihedral_nharmonic.h +++ b/src/USER-MISC/dihedral_nharmonic.h @@ -20,7 +20,7 @@ DihedralStyle(nharmonic,DihedralNHarmonic) #ifndef DIHEDRAL_NHARMONIC_H #define DIHEDRAL_NHARMONIC_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/dihedral_quadratic.cpp b/src/USER-MISC/dihedral_quadratic.cpp index 6841492b2f..9674f818f1 100644 --- a/src/USER-MISC/dihedral_quadratic.cpp +++ b/src/USER-MISC/dihedral_quadratic.cpp @@ -16,8 +16,8 @@ [ based on dihedral_helix.cpp Paul Crozier (SNL) ] ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "dihedral_quadratic.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/dihedral_quadratic.h b/src/USER-MISC/dihedral_quadratic.h index 638efac668..45c3393e76 100644 --- a/src/USER-MISC/dihedral_quadratic.h +++ b/src/USER-MISC/dihedral_quadratic.h @@ -20,7 +20,7 @@ DihedralStyle(quadratic,DihedralQuadratic) #ifndef LMP_DIHEDRAL_QUADRATIC_H #define LMP_DIHEDRAL_QUADRATIC_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/dihedral_spherical.h b/src/USER-MISC/dihedral_spherical.h index 0067e5eca8..ae0ece189a 100644 --- a/src/USER-MISC/dihedral_spherical.h +++ b/src/USER-MISC/dihedral_spherical.h @@ -20,7 +20,7 @@ DihedralStyle(spherical,DihedralSpherical) #ifndef LMP_DIHEDRAL_SPHERICAL_H #define LMP_DIHEDRAL_SPHERICAL_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/fix_addtorque.cpp b/src/USER-MISC/fix_addtorque.cpp index 6c3bb5738d..654911769c 100644 --- a/src/USER-MISC/fix_addtorque.cpp +++ b/src/USER-MISC/fix_addtorque.cpp @@ -15,8 +15,8 @@ Contributing author: Laurent Joly (U Lyon, France), ljoly.ulyon@gmail.com ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_addtorque.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/fix_ave_correlate_long.cpp b/src/USER-MISC/fix_ave_correlate_long.cpp index e40447d859..da6d041287 100644 --- a/src/USER-MISC/fix_ave_correlate_long.cpp +++ b/src/USER-MISC/fix_ave_correlate_long.cpp @@ -21,9 +21,9 @@ see J. Chem. Phys. 133, 154103 (2010) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include #include "fix_ave_correlate_long.h" #include "update.h" diff --git a/src/USER-MISC/fix_ave_correlate_long.h b/src/USER-MISC/fix_ave_correlate_long.h index 2823a5beb3..5b38f454ea 100644 --- a/src/USER-MISC/fix_ave_correlate_long.h +++ b/src/USER-MISC/fix_ave_correlate_long.h @@ -20,7 +20,7 @@ FixStyle(ave/correlate/long,FixAveCorrelateLong) #ifndef LMP_FIX_AVE_CORRELATE_LONG_H #define LMP_FIX_AVE_CORRELATE_LONG_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/fix_filter_corotate.cpp b/src/USER-MISC/fix_filter_corotate.cpp index 7ada3aeb99..a5f0e57041 100644 --- a/src/USER-MISC/fix_filter_corotate.cpp +++ b/src/USER-MISC/fix_filter_corotate.cpp @@ -17,8 +17,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "fix_filter_corotate.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-MISC/fix_flow_gauss.cpp b/src/USER-MISC/fix_flow_gauss.cpp index 435e3972c8..6a1e508030 100644 --- a/src/USER-MISC/fix_flow_gauss.cpp +++ b/src/USER-MISC/fix_flow_gauss.cpp @@ -16,8 +16,8 @@ Joel.Eaves@Colorado.edu ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_flow_gauss.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/fix_gle.cpp b/src/USER-MISC/fix_gle.cpp index ecb3390e5e..5857bafc2e 100644 --- a/src/USER-MISC/fix_gle.cpp +++ b/src/USER-MISC/fix_gle.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_gle.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-MISC/fix_grem.cpp b/src/USER-MISC/fix_grem.cpp index 5a4e149316..a5f8c34448 100644 --- a/src/USER-MISC/fix_grem.cpp +++ b/src/USER-MISC/fix_grem.cpp @@ -22,9 +22,9 @@ Tom Keyes (Boston University) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "comm.h" #include "fix_grem.h" #include "atom.h" diff --git a/src/USER-MISC/fix_imd.cpp b/src/USER-MISC/fix_imd.cpp index b5bd8caf0b..abf9e7cb0b 100644 --- a/src/USER-MISC/fix_imd.cpp +++ b/src/USER-MISC/fix_imd.cpp @@ -58,10 +58,10 @@ negotiate an appropriate license for such distribution." #include "group.h" #include "memory.h" -#include -#include -#include -#include +#include +#include +#include +#include #if defined(_MSC_VER) || defined(__MINGW32__) #include @@ -350,7 +350,7 @@ static void id_sort(tagint *idmap, tagint left, tagint right) /* part 1: Interactive MD (IMD) API */ -#include +#include #if ( INT_MAX == 2147483647 ) typedef int int32; diff --git a/src/USER-MISC/fix_ipi.cpp b/src/USER-MISC/fix_ipi.cpp index bacce67901..090a330af6 100644 --- a/src/USER-MISC/fix_ipi.cpp +++ b/src/USER-MISC/fix_ipi.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_ipi.h" #include "atom.h" #include "force.h" @@ -50,7 +50,7 @@ using namespace FixConst; // socket interface #ifndef _WIN32 -#include +#include #include #include #include diff --git a/src/USER-MISC/fix_nvk.cpp b/src/USER-MISC/fix_nvk.cpp index 5dcfe53e78..dbf7b56fe2 100644 --- a/src/USER-MISC/fix_nvk.cpp +++ b/src/USER-MISC/fix_nvk.cpp @@ -15,9 +15,9 @@ Contributing author: Efrem Braun (UC Berkeley) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nvk.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/fix_pimd.cpp b/src/USER-MISC/fix_pimd.cpp index 2c89ddda57..e65ae6ae28 100644 --- a/src/USER-MISC/fix_pimd.cpp +++ b/src/USER-MISC/fix_pimd.cpp @@ -21,9 +21,9 @@ Version 1.0 ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_pimd.h" #include "universe.h" #include "comm.h" diff --git a/src/USER-MISC/fix_rhok.cpp b/src/USER-MISC/fix_rhok.cpp index 58b0e95a97..bbc4ce417a 100644 --- a/src/USER-MISC/fix_rhok.cpp +++ b/src/USER-MISC/fix_rhok.cpp @@ -13,10 +13,10 @@ Contributing author: Ulf R. Pedersen, ulf@urp.dk ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_rhok.h" #include "atom.h" diff --git a/src/USER-MISC/fix_smd.cpp b/src/USER-MISC/fix_smd.cpp index b2d3ee0779..fb22483a07 100644 --- a/src/USER-MISC/fix_smd.cpp +++ b/src/USER-MISC/fix_smd.cpp @@ -16,9 +16,9 @@ based on fix spring by: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_smd.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/fix_srp.cpp b/src/USER-MISC/fix_srp.cpp index 90935e482a..e4d85e8674 100644 --- a/src/USER-MISC/fix_srp.cpp +++ b/src/USER-MISC/fix_srp.cpp @@ -15,8 +15,8 @@ Contributing authors: Timothy Sirk (ARL), Pieter in't Veld (BASF) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_srp.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/fix_srp.h b/src/USER-MISC/fix_srp.h index aaeea2f03a..7dbf044bda 100644 --- a/src/USER-MISC/fix_srp.h +++ b/src/USER-MISC/fix_srp.h @@ -20,7 +20,7 @@ FixStyle(SRP,FixSRP) #ifndef LMP_FIX_SRP_H #define LMP_FIX_SRP_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/fix_ti_spring.cpp b/src/USER-MISC/fix_ti_spring.cpp index fbbc747c38..5812142763 100644 --- a/src/USER-MISC/fix_ti_spring.cpp +++ b/src/USER-MISC/fix_ti_spring.cpp @@ -18,8 +18,8 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_ti_spring.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/fix_ttm_mod.cpp b/src/USER-MISC/fix_ttm_mod.cpp index b7261b85d4..1e1e62b638 100644 --- a/src/USER-MISC/fix_ttm_mod.cpp +++ b/src/USER-MISC/fix_ttm_mod.cpp @@ -19,9 +19,9 @@ #include "lmptype.h" #include -#include -#include -#include +#include +#include +#include #include "fix_ttm_mod.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/fix_wall_ees.cpp b/src/USER-MISC/fix_wall_ees.cpp index 9b65d1e30f..5ca16ebdad 100644 --- a/src/USER-MISC/fix_wall_ees.cpp +++ b/src/USER-MISC/fix_wall_ees.cpp @@ -15,7 +15,7 @@ Contributing author: Abdoreza Ershadinia, a.ershadinia at gmail.com ------------------------------------------------------------------------- */ -#include +#include #include "math_extra.h" #include "fix_wall_ees.h" #include "atom.h" diff --git a/src/USER-MISC/fix_wall_region_ees.cpp b/src/USER-MISC/fix_wall_region_ees.cpp index e070e2a221..82a78d3e73 100644 --- a/src/USER-MISC/fix_wall_region_ees.cpp +++ b/src/USER-MISC/fix_wall_region_ees.cpp @@ -15,9 +15,9 @@ Contributing author: Abdoreza Ershadinia, a.ershadinia at gmail.com ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_wall_region_ees.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-MISC/improper_cossq.cpp b/src/USER-MISC/improper_cossq.cpp index 223df4a76d..72cf0e79df 100644 --- a/src/USER-MISC/improper_cossq.cpp +++ b/src/USER-MISC/improper_cossq.cpp @@ -17,8 +17,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_cossq.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/improper_cossq.h b/src/USER-MISC/improper_cossq.h index 266e317977..46715433cd 100644 --- a/src/USER-MISC/improper_cossq.h +++ b/src/USER-MISC/improper_cossq.h @@ -20,7 +20,7 @@ ImproperStyle(cossq,ImproperCossq) #ifndef LMP_IMPROPER_COSSQ_H #define LMP_IMPROPER_COSSQ_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/improper_distance.cpp b/src/USER-MISC/improper_distance.cpp index ce6441d674..1c073cc791 100644 --- a/src/USER-MISC/improper_distance.cpp +++ b/src/USER-MISC/improper_distance.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_distance.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/improper_distance.h b/src/USER-MISC/improper_distance.h index cff96c6d9d..0f28180347 100644 --- a/src/USER-MISC/improper_distance.h +++ b/src/USER-MISC/improper_distance.h @@ -20,7 +20,7 @@ ImproperStyle(distance,ImproperDistance) #ifndef LMP_IMPROPER_DISTANCE_H #define LMP_IMPROPER_DISTANCE_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/improper_fourier.cpp b/src/USER-MISC/improper_fourier.cpp index b139fdad56..90596a1967 100644 --- a/src/USER-MISC/improper_fourier.cpp +++ b/src/USER-MISC/improper_fourier.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "improper_fourier.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/improper_fourier.h b/src/USER-MISC/improper_fourier.h index 903b9a12b6..51421d6379 100644 --- a/src/USER-MISC/improper_fourier.h +++ b/src/USER-MISC/improper_fourier.h @@ -20,7 +20,7 @@ ImproperStyle(fourier,ImproperFourier) #ifndef LMP_IMPROPER_FOURIER_H #define LMP_IMPROPER_FOURIER_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/improper_ring.cpp b/src/USER-MISC/improper_ring.cpp index adf17ed1d5..878c6dfc5e 100644 --- a/src/USER-MISC/improper_ring.cpp +++ b/src/USER-MISC/improper_ring.cpp @@ -37,8 +37,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "improper_ring.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/improper_ring.h b/src/USER-MISC/improper_ring.h index cdb2907c65..f721e8ff9e 100644 --- a/src/USER-MISC/improper_ring.h +++ b/src/USER-MISC/improper_ring.h @@ -20,7 +20,7 @@ ImproperStyle(ring,ImproperRing) #ifndef LMP_IMPROPER_RING_H #define LMP_IMPROPER_RING_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/USER-MISC/pair_agni.cpp b/src/USER-MISC/pair_agni.cpp index 9cd2cf57b8..11bf2ae01e 100644 --- a/src/USER-MISC/pair_agni.cpp +++ b/src/USER-MISC/pair_agni.cpp @@ -15,10 +15,10 @@ Contributing authors: Axel Kohlmeyer (Temple U), Venkatesh Botu ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_agni.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/pair_buck_mdf.cpp b/src/USER-MISC/pair_buck_mdf.cpp index 372fbaf8c0..457d75bc77 100644 --- a/src/USER-MISC/pair_buck_mdf.cpp +++ b/src/USER-MISC/pair_buck_mdf.cpp @@ -15,10 +15,10 @@ Contributing author: Paolo Raiteri (Curtin University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck_mdf.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_cdeam.cpp b/src/USER-MISC/pair_cdeam.cpp index b5607012ce..53d9036a61 100644 --- a/src/USER-MISC/pair_cdeam.cpp +++ b/src/USER-MISC/pair_cdeam.cpp @@ -17,10 +17,10 @@ Germany Department of Materials Science ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_cdeam.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/pair_coul_diel.cpp b/src/USER-MISC/pair_coul_diel.cpp index c653e9abb2..3f07df3d98 100644 --- a/src/USER-MISC/pair_coul_diel.cpp +++ b/src/USER-MISC/pair_coul_diel.cpp @@ -14,10 +14,10 @@ Contributiong authors: Arben Jusufi, Axel Kohlmeyer (Temple U.) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_diel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_coul_shield.cpp b/src/USER-MISC/pair_coul_shield.cpp index 0f7852163c..5b321fe8ec 100644 --- a/src/USER-MISC/pair_coul_shield.cpp +++ b/src/USER-MISC/pair_coul_shield.cpp @@ -18,10 +18,10 @@ [Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017)] ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_shield.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp index 5f83af7f49..f556a099c9 100644 --- a/src/USER-MISC/pair_edip.cpp +++ b/src/USER-MISC/pair_edip.cpp @@ -21,11 +21,11 @@ Phys. Rev. B 58, 2539 (1998) ------------------------------------------------------------------------- */ -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "pair_edip.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/pair_edip_multi.cpp b/src/USER-MISC/pair_edip_multi.cpp index bcef1b013b..7a4193f55c 100644 --- a/src/USER-MISC/pair_edip_multi.cpp +++ b/src/USER-MISC/pair_edip_multi.cpp @@ -17,11 +17,11 @@ Contributing author: Chao Jiang ------------------------------------------------------------------------- */ -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "pair_edip_multi.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/pair_extep.cpp b/src/USER-MISC/pair_extep.cpp index cf859a28f8..5a8cdf2884 100644 --- a/src/USER-MISC/pair_extep.cpp +++ b/src/USER-MISC/pair_extep.cpp @@ -15,10 +15,10 @@ Contributing author: Jan Los ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_extep.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/pair_gauss_cut.cpp b/src/USER-MISC/pair_gauss_cut.cpp index c1daf9c923..85f7c02887 100644 --- a/src/USER-MISC/pair_gauss_cut.cpp +++ b/src/USER-MISC/pair_gauss_cut.cpp @@ -15,10 +15,10 @@ Contributing authors: Arben Jusufi, Axel Kohlmeyer (Temple U.) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gauss_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp index 02c33c7e86..59dbc6142e 100644 --- a/src/USER-MISC/pair_ilp_graphene_hbn.cpp +++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp @@ -21,10 +21,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_ilp_graphene_hbn.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.h b/src/USER-MISC/pair_ilp_graphene_hbn.h index 3ced305429..07c3b2e97b 100644 --- a/src/USER-MISC/pair_ilp_graphene_hbn.h +++ b/src/USER-MISC/pair_ilp_graphene_hbn.h @@ -22,7 +22,7 @@ PairStyle(ilp/graphene/hbn,PairILPGrapheneHBN) #include "pair.h" #include "my_page.h" -#include +#include namespace LAMMPS_NS { diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp index a7eebe0b3f..b691150c46 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp +++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp @@ -20,10 +20,10 @@ [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)] ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include #include "pair_kolmogorov_crespi_full.h" #include "atom.h" diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.h b/src/USER-MISC/pair_kolmogorov_crespi_full.h index 3078a7601a..9923b409a7 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_full.h +++ b/src/USER-MISC/pair_kolmogorov_crespi_full.h @@ -22,7 +22,7 @@ PairStyle(kolmogorov/crespi/full,PairKolmogorovCrespiFull) #include "pair.h" #include "my_page.h" -#include +#include namespace LAMMPS_NS { diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp index dc1f56a318..fb7d5ae40e 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp +++ b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp @@ -21,10 +21,10 @@ The simplification is that all normals are taken along the z-direction ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_kolmogorov_crespi_z.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_lennard_mdf.cpp b/src/USER-MISC/pair_lennard_mdf.cpp index b959f513c0..f6e7f7f56b 100644 --- a/src/USER-MISC/pair_lennard_mdf.cpp +++ b/src/USER-MISC/pair_lennard_mdf.cpp @@ -16,10 +16,10 @@ Contributing author: Paolo Raiteri (Curtin University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lennard_mdf.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_list.cpp b/src/USER-MISC/pair_list.cpp index 6bb71d05c8..aaeb586c1d 100644 --- a/src/USER-MISC/pair_list.cpp +++ b/src/USER-MISC/pair_list.cpp @@ -24,10 +24,10 @@ #include "error.h" -#include -#include -#include -#include +#include +#include +#include +#include using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_lj_mdf.cpp b/src/USER-MISC/pair_lj_mdf.cpp index ebec1f80e1..d43a6c3086 100644 --- a/src/USER-MISC/pair_lj_mdf.cpp +++ b/src/USER-MISC/pair_lj_mdf.cpp @@ -16,10 +16,10 @@ Contributing author: Paolo Raiteri (Curtin University) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_mdf.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp index ab342fd055..cc92bfc30f 100644 --- a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp +++ b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp @@ -16,8 +16,9 @@ Samuel Genheden (University of Southampton) ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "pair_lj_sf_dipole_sf.h" #include "atom.h" #include "neighbor.h" @@ -27,7 +28,6 @@ #include "memory.h" #include "error.h" #include "update.h" -#include using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_meam_spline.cpp b/src/USER-MISC/pair_meam_spline.cpp index 10659e8654..750f6ac5bb 100644 --- a/src/USER-MISC/pair_meam_spline.cpp +++ b/src/USER-MISC/pair_meam_spline.cpp @@ -31,10 +31,10 @@ conform with pairing, updated to LAMMPS style ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_meam_spline.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/pair_meam_sw_spline.cpp b/src/USER-MISC/pair_meam_sw_spline.cpp index 3eda3ea45d..f6b7212f9c 100644 --- a/src/USER-MISC/pair_meam_sw_spline.cpp +++ b/src/USER-MISC/pair_meam_sw_spline.cpp @@ -23,10 +23,10 @@ * 01-Aug-12 - RER: First code version. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_meam_sw_spline.h" #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/pair_momb.cpp b/src/USER-MISC/pair_momb.cpp index b69b8b86cc..12a40bb08b 100644 --- a/src/USER-MISC/pair_momb.cpp +++ b/src/USER-MISC/pair_momb.cpp @@ -16,9 +16,9 @@ Ya Zhou (Penn State University) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_momb.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_morse_smooth_linear.cpp b/src/USER-MISC/pair_morse_smooth_linear.cpp index 37a8807620..8a9c89cf69 100644 --- a/src/USER-MISC/pair_morse_smooth_linear.cpp +++ b/src/USER-MISC/pair_morse_smooth_linear.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_morse_smooth_linear.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp index 69c7e6b0be..7297b545f9 100644 --- a/src/USER-MISC/pair_srp.cpp +++ b/src/USER-MISC/pair_srp.cpp @@ -25,7 +25,8 @@ There is an example script for this package in examples/USER/srp. Please contact Timothy Sirk for questions (tim.sirk@us.army.mil). ------------------------------------------------------------------------- */ -#include +#include +#include #include "pair_srp.h" #include "atom.h" #include "comm.h" @@ -40,7 +41,6 @@ Please contact Timothy Sirk for questions (tim.sirk@us.army.mil). #include "fix_srp.h" #include "thermo.h" #include "output.h" -#include #include "citeme.h" using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp index 1c96b3d002..c2362b8de9 100644 --- a/src/USER-MISC/pair_tersoff_table.cpp +++ b/src/USER-MISC/pair_tersoff_table.cpp @@ -20,10 +20,10 @@ 1) Tersoff, Phys. Rev. B 39, 5566 (1988) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_table.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MISC/temper_grem.cpp b/src/USER-MISC/temper_grem.cpp index 9e5a4c5c3b..031a449689 100644 --- a/src/USER-MISC/temper_grem.cpp +++ b/src/USER-MISC/temper_grem.cpp @@ -15,9 +15,9 @@ Contributing author: David Stelter (BU) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "temper_grem.h" #include "fix_grem.h" #include "universe.h" diff --git a/src/USER-MISC/temper_npt.cpp b/src/USER-MISC/temper_npt.cpp index 66ab92a43b..7cf8fbab9b 100644 --- a/src/USER-MISC/temper_npt.cpp +++ b/src/USER-MISC/temper_npt.cpp @@ -17,9 +17,9 @@ Contact Email: amulyapervaje@gmail.com ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "temper_npt.h" #include "universe.h" #include "domain.h" diff --git a/src/USER-MOFFF/angle_class2_p6.cpp b/src/USER-MOFFF/angle_class2_p6.cpp index d173669771..c821c9d883 100644 --- a/src/USER-MOFFF/angle_class2_p6.cpp +++ b/src/USER-MOFFF/angle_class2_p6.cpp @@ -16,9 +16,9 @@ and Rochus Schmid (Ruhr-Universitaet Bochum) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "angle_class2_p6.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MOFFF/angle_class2_p6.h b/src/USER-MOFFF/angle_class2_p6.h index aa0bdea6d6..b583a45b19 100644 --- a/src/USER-MOFFF/angle_class2_p6.h +++ b/src/USER-MOFFF/angle_class2_p6.h @@ -20,7 +20,7 @@ AngleStyle(class2/p6,AngleClass2P6) #ifndef LMP_ANGLE_CLASS2_P6_H #define LMP_ANGLE_CLASS2_P6_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MOFFF/angle_cosine_buck6d.cpp b/src/USER-MOFFF/angle_cosine_buck6d.cpp index 493807dbdc..b5800db2be 100644 --- a/src/USER-MOFFF/angle_cosine_buck6d.cpp +++ b/src/USER-MOFFF/angle_cosine_buck6d.cpp @@ -16,8 +16,8 @@ and Rochus Schmid (Ruhr-Universitaet Bochum) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "angle_cosine_buck6d.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-MOFFF/angle_cosine_buck6d.h b/src/USER-MOFFF/angle_cosine_buck6d.h index e021992b94..689b1634e0 100644 --- a/src/USER-MOFFF/angle_cosine_buck6d.h +++ b/src/USER-MOFFF/angle_cosine_buck6d.h @@ -20,7 +20,7 @@ AngleStyle(cosine/buck6d, AngleCosineBuck6d) #ifndef LMP_ANGLE_COSINE_BUCK6D_H #define LMP_ANGLE_COSINE_BUCK6D_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/USER-MOFFF/improper_inversion_harmonic.cpp b/src/USER-MOFFF/improper_inversion_harmonic.cpp index 3a7c0272aa..53a7b4729a 100644 --- a/src/USER-MOFFF/improper_inversion_harmonic.cpp +++ b/src/USER-MOFFF/improper_inversion_harmonic.cpp @@ -20,9 +20,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include "string.h" +#include +#include +#include #include "improper_inversion_harmonic.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MOFFF/improper_inversion_harmonic.h b/src/USER-MOFFF/improper_inversion_harmonic.h index 1b46c7489a..201c9e358d 100644 --- a/src/USER-MOFFF/improper_inversion_harmonic.h +++ b/src/USER-MOFFF/improper_inversion_harmonic.h @@ -20,7 +20,7 @@ ImproperStyle(inversion/harmonic,ImproperInversionHarmonic) #ifndef LMP_IMPROPER_INVERSION_HARMONIC_H #define LMP_IMPROPER_INVERSION_HARMONIC_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp index baa42a4bc0..f434d03858 100644 --- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp +++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp @@ -18,10 +18,10 @@ Fennell and Gezelter, JCP 124, 234104 (2006) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck6d_coul_gauss_dsf.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp index 36018613a2..9902896d18 100644 --- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp +++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp @@ -17,10 +17,10 @@ References: Bureekaew and Schmid, Phys. Status Solidi B 250, 1128 (2013) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck6d_coul_gauss_long.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-MOLFILE/dump_molfile.cpp b/src/USER-MOLFILE/dump_molfile.cpp index 54e86f3bc5..732fea74bd 100644 --- a/src/USER-MOLFILE/dump_molfile.cpp +++ b/src/USER-MOLFILE/dump_molfile.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_molfile.h" #include "domain.h" #include "atom.h" diff --git a/src/USER-MOLFILE/molfile_interface.cpp b/src/USER-MOLFILE/molfile_interface.cpp index 9c0c15f1ee..798beaee09 100644 --- a/src/USER-MOLFILE/molfile_interface.cpp +++ b/src/USER-MOLFILE/molfile_interface.cpp @@ -18,11 +18,11 @@ #include "molfile_interface.h" #include -#include +#include #include -#include -#include -#include +#include +#include +#include #if defined(_WIN32) #include diff --git a/src/USER-MOLFILE/reader_molfile.cpp b/src/USER-MOLFILE/reader_molfile.cpp index 15735ab92a..6348009d8f 100644 --- a/src/USER-MOLFILE/reader_molfile.cpp +++ b/src/USER-MOLFILE/reader_molfile.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "reader_molfile.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-NETCDF/dump_netcdf.cpp b/src/USER-NETCDF/dump_netcdf.cpp index 4147b3897d..c08bc89d04 100644 --- a/src/USER-NETCDF/dump_netcdf.cpp +++ b/src/USER-NETCDF/dump_netcdf.cpp @@ -18,8 +18,8 @@ #if defined(LMP_HAS_NETCDF) #include -#include -#include +#include +#include #include #include "dump_netcdf.h" #include "atom.h" diff --git a/src/USER-NETCDF/dump_netcdf_mpiio.cpp b/src/USER-NETCDF/dump_netcdf_mpiio.cpp index 129f9cccbb..0a292d4721 100644 --- a/src/USER-NETCDF/dump_netcdf_mpiio.cpp +++ b/src/USER-NETCDF/dump_netcdf_mpiio.cpp @@ -18,8 +18,8 @@ #if defined(LMP_HAS_PNETCDF) #include -#include -#include +#include +#include #include #include "dump_netcdf_mpiio.h" #include "atom.h" diff --git a/src/USER-OMP/angle_charmm_omp.cpp b/src/USER-OMP/angle_charmm_omp.cpp index 228ca94dee..1f24438df3 100644 --- a/src/USER-OMP/angle_charmm_omp.cpp +++ b/src/USER-OMP/angle_charmm_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_class2_omp.cpp b/src/USER-OMP/angle_class2_omp.cpp index 8f958b477c..bd13e20bcc 100644 --- a/src/USER-OMP/angle_class2_omp.cpp +++ b/src/USER-OMP/angle_class2_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_delta_omp.cpp b/src/USER-OMP/angle_cosine_delta_omp.cpp index f9891dbb3d..b3bb3e1f8a 100644 --- a/src/USER-OMP/angle_cosine_delta_omp.cpp +++ b/src/USER-OMP/angle_cosine_delta_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_omp.cpp b/src/USER-OMP/angle_cosine_omp.cpp index 39ae3ce698..04b3870bc4 100644 --- a/src/USER-OMP/angle_cosine_omp.cpp +++ b/src/USER-OMP/angle_cosine_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_periodic_omp.cpp b/src/USER-OMP/angle_cosine_periodic_omp.cpp index 3bd4ef1212..8060ebec7b 100644 --- a/src/USER-OMP/angle_cosine_periodic_omp.cpp +++ b/src/USER-OMP/angle_cosine_periodic_omp.cpp @@ -25,7 +25,7 @@ #include "math_const.h" #include "math_special.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp index 3a3c31d625..3e00681ec9 100644 --- a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp +++ b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_shift_omp.cpp b/src/USER-OMP/angle_cosine_shift_omp.cpp index f9f538e553..0ab3df4359 100644 --- a/src/USER-OMP/angle_cosine_shift_omp.cpp +++ b/src/USER-OMP/angle_cosine_shift_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_squared_omp.cpp b/src/USER-OMP/angle_cosine_squared_omp.cpp index c7d14468f5..a1b1ffdf1a 100644 --- a/src/USER-OMP/angle_cosine_squared_omp.cpp +++ b/src/USER-OMP/angle_cosine_squared_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_dipole_omp.cpp b/src/USER-OMP/angle_dipole_omp.cpp index ee2af53918..92a5ba092e 100644 --- a/src/USER-OMP/angle_dipole_omp.cpp +++ b/src/USER-OMP/angle_dipole_omp.cpp @@ -25,7 +25,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_fourier_omp.cpp b/src/USER-OMP/angle_fourier_omp.cpp index 275eab29f1..dfc713c372 100644 --- a/src/USER-OMP/angle_fourier_omp.cpp +++ b/src/USER-OMP/angle_fourier_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_fourier_simple_omp.cpp b/src/USER-OMP/angle_fourier_simple_omp.cpp index 5bdbfce05d..dea7a88723 100644 --- a/src/USER-OMP/angle_fourier_simple_omp.cpp +++ b/src/USER-OMP/angle_fourier_simple_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_harmonic_omp.cpp b/src/USER-OMP/angle_harmonic_omp.cpp index 917bc2d5b0..0a71e5c9dd 100644 --- a/src/USER-OMP/angle_harmonic_omp.cpp +++ b/src/USER-OMP/angle_harmonic_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_quartic_omp.cpp b/src/USER-OMP/angle_quartic_omp.cpp index 70383fd50a..97a9b14f1d 100644 --- a/src/USER-OMP/angle_quartic_omp.cpp +++ b/src/USER-OMP/angle_quartic_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_sdk_omp.cpp b/src/USER-OMP/angle_sdk_omp.cpp index 9b4a967bf3..9383a9af83 100644 --- a/src/USER-OMP/angle_sdk_omp.cpp +++ b/src/USER-OMP/angle_sdk_omp.cpp @@ -23,7 +23,7 @@ #include "force.h" #include "math_const.h" -#include +#include #include "lj_sdk_common.h" diff --git a/src/USER-OMP/angle_table_omp.cpp b/src/USER-OMP/angle_table_omp.cpp index 465f4370fc..c3d2307489 100644 --- a/src/USER-OMP/angle_table_omp.cpp +++ b/src/USER-OMP/angle_table_omp.cpp @@ -24,7 +24,7 @@ #include "math_const.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_class2_omp.cpp b/src/USER-OMP/bond_class2_omp.cpp index 69decfb32a..1f9bcaa320 100644 --- a/src/USER-OMP/bond_class2_omp.cpp +++ b/src/USER-OMP/bond_class2_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_fene_expand_omp.cpp b/src/USER-OMP/bond_fene_expand_omp.cpp index 37cb8b403e..d002d454dd 100644 --- a/src/USER-OMP/bond_fene_expand_omp.cpp +++ b/src/USER-OMP/bond_fene_expand_omp.cpp @@ -24,7 +24,7 @@ #include "error.h" #include "update.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_fene_omp.cpp b/src/USER-OMP/bond_fene_omp.cpp index e92dae999c..ba958e1d6f 100644 --- a/src/USER-OMP/bond_fene_omp.cpp +++ b/src/USER-OMP/bond_fene_omp.cpp @@ -24,7 +24,7 @@ #include "error.h" #include "update.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_gromos_omp.cpp b/src/USER-OMP/bond_gromos_omp.cpp index 7904c4683b..bcfde436d5 100644 --- a/src/USER-OMP/bond_gromos_omp.cpp +++ b/src/USER-OMP/bond_gromos_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_harmonic_omp.cpp b/src/USER-OMP/bond_harmonic_omp.cpp index b62fd53193..46a93cbbdd 100644 --- a/src/USER-OMP/bond_harmonic_omp.cpp +++ b/src/USER-OMP/bond_harmonic_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp index db2518e9a9..5f39bb1b64 100644 --- a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp +++ b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_harmonic_shift_omp.cpp b/src/USER-OMP/bond_harmonic_shift_omp.cpp index 632db87301..8c260bfc9b 100644 --- a/src/USER-OMP/bond_harmonic_shift_omp.cpp +++ b/src/USER-OMP/bond_harmonic_shift_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_morse_omp.cpp b/src/USER-OMP/bond_morse_omp.cpp index d03783920b..0c3cded71a 100644 --- a/src/USER-OMP/bond_morse_omp.cpp +++ b/src/USER-OMP/bond_morse_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_nonlinear_omp.cpp b/src/USER-OMP/bond_nonlinear_omp.cpp index 2bc77de85c..cdc70eac8d 100644 --- a/src/USER-OMP/bond_nonlinear_omp.cpp +++ b/src/USER-OMP/bond_nonlinear_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_quartic_omp.cpp b/src/USER-OMP/bond_quartic_omp.cpp index c0ddfd0b92..b2b1696bb4 100644 --- a/src/USER-OMP/bond_quartic_omp.cpp +++ b/src/USER-OMP/bond_quartic_omp.cpp @@ -23,7 +23,7 @@ #include "domain.h" #include "pair.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_table_omp.cpp b/src/USER-OMP/bond_table_omp.cpp index 53226df4f7..71dc237496 100644 --- a/src/USER-OMP/bond_table_omp.cpp +++ b/src/USER-OMP/bond_table_omp.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "domain.h" -#include +#include #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/dihedral_charmm_omp.cpp b/src/USER-OMP/dihedral_charmm_omp.cpp index 95cab754c3..1bed449774 100644 --- a/src/USER-OMP/dihedral_charmm_omp.cpp +++ b/src/USER-OMP/dihedral_charmm_omp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "dihedral_charmm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_class2_omp.cpp b/src/USER-OMP/dihedral_class2_omp.cpp index edf3e972d2..c7ae1572c7 100644 --- a/src/USER-OMP/dihedral_class2_omp.cpp +++ b/src/USER-OMP/dihedral_class2_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_class2_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp index fe99d52cb7..c43b990028 100644 --- a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp +++ b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_cosine_shift_exp_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_fourier_omp.cpp b/src/USER-OMP/dihedral_fourier_omp.cpp index 9c93f2ad30..319acb0beb 100644 --- a/src/USER-OMP/dihedral_fourier_omp.cpp +++ b/src/USER-OMP/dihedral_fourier_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_fourier_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_harmonic_omp.cpp b/src/USER-OMP/dihedral_harmonic_omp.cpp index 2e0a1cf554..bb659cf262 100644 --- a/src/USER-OMP/dihedral_harmonic_omp.cpp +++ b/src/USER-OMP/dihedral_harmonic_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_harmonic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_helix_omp.cpp b/src/USER-OMP/dihedral_helix_omp.cpp index 7dd1e8f8a4..e40f084e54 100644 --- a/src/USER-OMP/dihedral_helix_omp.cpp +++ b/src/USER-OMP/dihedral_helix_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_helix_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp index 06565e7b50..e10fc7b94a 100644 --- a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp +++ b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_multi_harmonic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_nharmonic_omp.cpp b/src/USER-OMP/dihedral_nharmonic_omp.cpp index c698f7c109..ad758fc892 100644 --- a/src/USER-OMP/dihedral_nharmonic_omp.cpp +++ b/src/USER-OMP/dihedral_nharmonic_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_nharmonic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_opls_omp.cpp b/src/USER-OMP/dihedral_opls_omp.cpp index 069d6d2dd2..53fddf51cb 100644 --- a/src/USER-OMP/dihedral_opls_omp.cpp +++ b/src/USER-OMP/dihedral_opls_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_opls_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/dihedral_quadratic_omp.cpp b/src/USER-OMP/dihedral_quadratic_omp.cpp index 3fa580defc..f6110cd505 100644 --- a/src/USER-OMP/dihedral_quadratic_omp.cpp +++ b/src/USER-OMP/dihedral_quadratic_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "dihedral_quadratic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/ewald_omp.cpp b/src/USER-OMP/ewald_omp.cpp index ad6b0bf805..a26d5cf27d 100644 --- a/src/USER-OMP/ewald_omp.cpp +++ b/src/USER-OMP/ewald_omp.cpp @@ -22,7 +22,7 @@ #include "force.h" #include "memory.h" -#include +#include #include "math_const.h" diff --git a/src/USER-OMP/fix_gravity_omp.cpp b/src/USER-OMP/fix_gravity_omp.cpp index 1e65d1f764..ef1a07aa5a 100644 --- a/src/USER-OMP/fix_gravity_omp.cpp +++ b/src/USER-OMP/fix_gravity_omp.cpp @@ -15,10 +15,10 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_gravity_omp.h" #include "atom.h" #include "update.h" diff --git a/src/USER-OMP/fix_neigh_history_omp.cpp b/src/USER-OMP/fix_neigh_history_omp.cpp index a7ee18257f..efa7f5a3f1 100644 --- a/src/USER-OMP/fix_neigh_history_omp.cpp +++ b/src/USER-OMP/fix_neigh_history_omp.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_neigh_history_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/fix_nh_asphere_omp.cpp b/src/USER-OMP/fix_nh_asphere_omp.cpp index e710e6f12e..b0967bf7f7 100644 --- a/src/USER-OMP/fix_nh_asphere_omp.cpp +++ b/src/USER-OMP/fix_nh_asphere_omp.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "math_extra.h" #include "fix_nh_asphere_omp.h" #include "atom.h" diff --git a/src/USER-OMP/fix_nh_omp.cpp b/src/USER-OMP/fix_nh_omp.cpp index ccb6090378..76a47b71fd 100644 --- a/src/USER-OMP/fix_nh_omp.cpp +++ b/src/USER-OMP/fix_nh_omp.cpp @@ -22,8 +22,8 @@ #include "error.h" #include "modify.h" -#include -#include +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-OMP/fix_nh_sphere_omp.cpp b/src/USER-OMP/fix_nh_sphere_omp.cpp index dd0530dcfa..a32f0f8b51 100644 --- a/src/USER-OMP/fix_nh_sphere_omp.cpp +++ b/src/USER-OMP/fix_nh_sphere_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "fix_nh_sphere_omp.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-OMP/fix_nph_asphere_omp.cpp b/src/USER-OMP/fix_nph_asphere_omp.cpp index dfcbc87e6f..c012583fda 100644 --- a/src/USER-OMP/fix_nph_asphere_omp.cpp +++ b/src/USER-OMP/fix_nph_asphere_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_asphere_omp.h" #include "modify.h" #include "error.h" diff --git a/src/USER-OMP/fix_nph_omp.cpp b/src/USER-OMP/fix_nph_omp.cpp index f2a4e66f55..c11a64cd47 100644 --- a/src/USER-OMP/fix_nph_omp.cpp +++ b/src/USER-OMP/fix_nph_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_omp.h" #include "modify.h" #include "error.h" diff --git a/src/USER-OMP/fix_nph_sphere_omp.cpp b/src/USER-OMP/fix_nph_sphere_omp.cpp index 670009de2f..21db6a3aaa 100644 --- a/src/USER-OMP/fix_nph_sphere_omp.cpp +++ b/src/USER-OMP/fix_nph_sphere_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_sphere_omp.h" #include "modify.h" #include "error.h" diff --git a/src/USER-OMP/fix_nphug_omp.cpp b/src/USER-OMP/fix_nphug_omp.cpp index 75ff393e28..a2ed8eb7aa 100644 --- a/src/USER-OMP/fix_nphug_omp.cpp +++ b/src/USER-OMP/fix_nphug_omp.cpp @@ -11,8 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "fix_nphug_omp.h" #include "modify.h" #include "error.h" @@ -21,10 +22,8 @@ #include "force.h" #include "domain.h" #include "group.h" -#include #include "memory.h" #include "comm.h" -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-OMP/fix_npt_asphere_omp.cpp b/src/USER-OMP/fix_npt_asphere_omp.cpp index 1db62d40c0..f1fbe27d83 100644 --- a/src/USER-OMP/fix_npt_asphere_omp.cpp +++ b/src/USER-OMP/fix_npt_asphere_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_asphere_omp.h" #include "modify.h" #include "error.h" diff --git a/src/USER-OMP/fix_npt_omp.cpp b/src/USER-OMP/fix_npt_omp.cpp index 5610f62f36..9244aa1606 100644 --- a/src/USER-OMP/fix_npt_omp.cpp +++ b/src/USER-OMP/fix_npt_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_omp.h" #include "modify.h" #include "error.h" diff --git a/src/USER-OMP/fix_npt_sphere_omp.cpp b/src/USER-OMP/fix_npt_sphere_omp.cpp index d71d1380b9..b12bafecdd 100644 --- a/src/USER-OMP/fix_npt_sphere_omp.cpp +++ b/src/USER-OMP/fix_npt_sphere_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_sphere_omp.h" #include "modify.h" #include "error.h" diff --git a/src/USER-OMP/fix_nve_sphere_omp.cpp b/src/USER-OMP/fix_nve_sphere_omp.cpp index 43ecc99868..dd13e58d7c 100644 --- a/src/USER-OMP/fix_nve_sphere_omp.cpp +++ b/src/USER-OMP/fix_nve_sphere_omp.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_sphere_omp.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-OMP/fix_nvt_asphere_omp.cpp b/src/USER-OMP/fix_nvt_asphere_omp.cpp index bb1e784a37..d0ef28f4de 100644 --- a/src/USER-OMP/fix_nvt_asphere_omp.cpp +++ b/src/USER-OMP/fix_nvt_asphere_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_asphere_omp.h" #include "group.h" #include "modify.h" diff --git a/src/USER-OMP/fix_nvt_omp.cpp b/src/USER-OMP/fix_nvt_omp.cpp index f8f3c15b76..d4dbd4c8f0 100644 --- a/src/USER-OMP/fix_nvt_omp.cpp +++ b/src/USER-OMP/fix_nvt_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_omp.h" #include "group.h" #include "modify.h" diff --git a/src/USER-OMP/fix_nvt_sllod_omp.cpp b/src/USER-OMP/fix_nvt_sllod_omp.cpp index a829d49c0f..33445c68af 100644 --- a/src/USER-OMP/fix_nvt_sllod_omp.cpp +++ b/src/USER-OMP/fix_nvt_sllod_omp.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nvt_sllod_omp.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-OMP/fix_nvt_sphere_omp.cpp b/src/USER-OMP/fix_nvt_sphere_omp.cpp index 22eda99883..33ea949fcb 100644 --- a/src/USER-OMP/fix_nvt_sphere_omp.cpp +++ b/src/USER-OMP/fix_nvt_sphere_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_sphere_omp.h" #include "group.h" #include "modify.h" diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp index 2a3717da0d..8d54d5b451 100644 --- a/src/USER-OMP/fix_omp.cpp +++ b/src/USER-OMP/fix_omp.cpp @@ -39,9 +39,9 @@ #include "improper_hybrid.h" #include "kspace.h" -#include -#include -#include +#include +#include +#include #include "suffix.h" diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp index 351003b668..b898fe3fe4 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.cpp +++ b/src/USER-OMP/fix_qeq_comb_omp.cpp @@ -16,7 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include +#include +#include #include "fix_qeq_comb_omp.h" #include "fix_omp.h" #include "atom.h" @@ -33,8 +34,6 @@ #include "update.h" #include "pair_comb_omp.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-OMP/fix_qeq_reax_omp.cpp b/src/USER-OMP/fix_qeq_reax_omp.cpp index d89c9627fe..a9ffb32d90 100644 --- a/src/USER-OMP/fix_qeq_reax_omp.cpp +++ b/src/USER-OMP/fix_qeq_reax_omp.cpp @@ -31,10 +31,10 @@ High Performance Computing Applications, to appear. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_reax_omp.h" #include "pair_reaxc_omp.h" #include "atom.h" diff --git a/src/USER-OMP/fix_rigid_nh_omp.cpp b/src/USER-OMP/fix_rigid_nh_omp.cpp index 9341f83079..9f25a1d000 100644 --- a/src/USER-OMP/fix_rigid_nh_omp.cpp +++ b/src/USER-OMP/fix_rigid_nh_omp.cpp @@ -29,7 +29,7 @@ #include "modify.h" #include "update.h" -#include +#include #if defined(_OPENMP) #include diff --git a/src/USER-OMP/fix_rigid_nph_omp.cpp b/src/USER-OMP/fix_rigid_nph_omp.cpp index 6aca84c309..7db45ed9bf 100644 --- a/src/USER-OMP/fix_rigid_nph_omp.cpp +++ b/src/USER-OMP/fix_rigid_nph_omp.cpp @@ -17,7 +17,7 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include +#include #include "fix_rigid_nph_omp.h" #include "domain.h" #include "modify.h" diff --git a/src/USER-OMP/fix_rigid_npt_omp.cpp b/src/USER-OMP/fix_rigid_npt_omp.cpp index 23f16c6155..a041706f38 100644 --- a/src/USER-OMP/fix_rigid_npt_omp.cpp +++ b/src/USER-OMP/fix_rigid_npt_omp.cpp @@ -17,7 +17,7 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include +#include #include "fix_rigid_npt_omp.h" #include "domain.h" #include "modify.h" diff --git a/src/USER-OMP/fix_rigid_omp.cpp b/src/USER-OMP/fix_rigid_omp.cpp index 6f084c628c..15e5f91c32 100644 --- a/src/USER-OMP/fix_rigid_omp.cpp +++ b/src/USER-OMP/fix_rigid_omp.cpp @@ -24,7 +24,7 @@ #include "comm.h" #include "domain.h" -#include +#include #if defined(_OPENMP) #include diff --git a/src/USER-OMP/fix_rigid_small_omp.cpp b/src/USER-OMP/fix_rigid_small_omp.cpp index 156ef8a2d7..7d82bd04e8 100644 --- a/src/USER-OMP/fix_rigid_small_omp.cpp +++ b/src/USER-OMP/fix_rigid_small_omp.cpp @@ -24,7 +24,7 @@ #include "comm.h" #include "domain.h" -#include +#include #if defined(_OPENMP) #include diff --git a/src/USER-OMP/fix_wall_gran_omp.cpp b/src/USER-OMP/fix_wall_gran_omp.cpp index 55ae8593a7..d45e748b6a 100644 --- a/src/USER-OMP/fix_wall_gran_omp.cpp +++ b/src/USER-OMP/fix_wall_gran_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "fix_wall_gran_omp.h" #include "atom.h" #include "memory.h" diff --git a/src/USER-OMP/improper_class2_omp.cpp b/src/USER-OMP/improper_class2_omp.cpp index 3beeb41a26..7184cbeb69 100644 --- a/src/USER-OMP/improper_class2_omp.cpp +++ b/src/USER-OMP/improper_class2_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_class2_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/improper_cossq_omp.cpp b/src/USER-OMP/improper_cossq_omp.cpp index f34941d624..022cfa6adf 100644 --- a/src/USER-OMP/improper_cossq_omp.cpp +++ b/src/USER-OMP/improper_cossq_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_cossq_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/improper_cvff_omp.cpp b/src/USER-OMP/improper_cvff_omp.cpp index cba14226ac..78c5a55e05 100644 --- a/src/USER-OMP/improper_cvff_omp.cpp +++ b/src/USER-OMP/improper_cvff_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_cvff_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/improper_fourier_omp.cpp b/src/USER-OMP/improper_fourier_omp.cpp index c1699baf02..aed04003a5 100644 --- a/src/USER-OMP/improper_fourier_omp.cpp +++ b/src/USER-OMP/improper_fourier_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_fourier_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/improper_harmonic_omp.cpp b/src/USER-OMP/improper_harmonic_omp.cpp index 8c1f91ecab..3f1895142d 100644 --- a/src/USER-OMP/improper_harmonic_omp.cpp +++ b/src/USER-OMP/improper_harmonic_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_harmonic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/improper_ring_omp.cpp b/src/USER-OMP/improper_ring_omp.cpp index 4eadc83183..7970de3839 100644 --- a/src/USER-OMP/improper_ring_omp.cpp +++ b/src/USER-OMP/improper_ring_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_ring_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/improper_umbrella_omp.cpp b/src/USER-OMP/improper_umbrella_omp.cpp index 9ea94c5705..dc11f24a4d 100644 --- a/src/USER-OMP/improper_umbrella_omp.cpp +++ b/src/USER-OMP/improper_umbrella_omp.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "improper_umbrella_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/msm_cg_omp.cpp b/src/USER-OMP/msm_cg_omp.cpp index fb64bc5644..226083deb4 100644 --- a/src/USER-OMP/msm_cg_omp.cpp +++ b/src/USER-OMP/msm_cg_omp.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "atom.h" #include "gridcomm.h" @@ -331,7 +331,7 @@ void MSMCGOMP::particle_map() int flag = 0; int i; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); // XXX: O(N). is it worth to add OpenMP here? diff --git a/src/USER-OMP/msm_omp.cpp b/src/USER-OMP/msm_omp.cpp index 7a79dc865b..3bc7ddb1cd 100644 --- a/src/USER-OMP/msm_omp.cpp +++ b/src/USER-OMP/msm_omp.cpp @@ -24,7 +24,7 @@ #include "memory.h" #include "math_const.h" -#include +#include #if defined(_OPENMP) #include diff --git a/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp b/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp index fc101a33d2..dff2a762d5 100644 --- a/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp +++ b/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_bin_newtoff_omp.h" #include "npair_omp.h" #include "neighbor.h" diff --git a/src/USER-OMP/npair_half_size_bin_newton_omp.cpp b/src/USER-OMP/npair_half_size_bin_newton_omp.cpp index 1f0dca79ac..3053b81594 100644 --- a/src/USER-OMP/npair_half_size_bin_newton_omp.cpp +++ b/src/USER-OMP/npair_half_size_bin_newton_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_bin_newton_omp.h" #include "npair_omp.h" #include "neighbor.h" diff --git a/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp b/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp index 1615effad3..717012b226 100644 --- a/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp +++ b/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_nsq_newtoff_omp.h" #include "npair_omp.h" #include "neighbor.h" diff --git a/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp b/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp index e5de57aa51..5a55029d30 100644 --- a/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp +++ b/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_nsq_newton_omp.h" #include "npair_omp.h" #include "neighbor.h" diff --git a/src/USER-OMP/pair_adp_omp.cpp b/src/USER-OMP/pair_adp_omp.cpp index 658ef365a3..264169773b 100644 --- a/src/USER-OMP/pair_adp_omp.cpp +++ b/src/USER-OMP/pair_adp_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_adp_omp.h" #include "atom.h" diff --git a/src/USER-OMP/pair_agni_omp.cpp b/src/USER-OMP/pair_agni_omp.cpp index 72e8331718..b938511656 100644 --- a/src/USER-OMP/pair_agni_omp.cpp +++ b/src/USER-OMP/pair_agni_omp.cpp @@ -12,9 +12,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_agni_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp index 3e8f6d6df3..8decda7cab 100644 --- a/src/USER-OMP/pair_airebo_omp.cpp +++ b/src/USER-OMP/pair_airebo_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_airebo_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_beck_omp.cpp b/src/USER-OMP/pair_beck_omp.cpp index e56a0dc7fa..1494ec2987 100644 --- a/src/USER-OMP/pair_beck_omp.cpp +++ b/src/USER-OMP/pair_beck_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_beck_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_born_coul_long_omp.cpp b/src/USER-OMP/pair_born_coul_long_omp.cpp index cbb71dfeb5..f198184406 100644 --- a/src/USER-OMP/pair_born_coul_long_omp.cpp +++ b/src/USER-OMP/pair_born_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_born_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_born_coul_msm_omp.cpp b/src/USER-OMP/pair_born_coul_msm_omp.cpp index 8ce564ccfa..1b4757359f 100644 --- a/src/USER-OMP/pair_born_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_born_coul_msm_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_born_coul_msm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_born_coul_wolf_omp.cpp b/src/USER-OMP/pair_born_coul_wolf_omp.cpp index bd3e539dd6..7904181ba5 100644 --- a/src/USER-OMP/pair_born_coul_wolf_omp.cpp +++ b/src/USER-OMP/pair_born_coul_wolf_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_born_coul_wolf_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_born_omp.cpp b/src/USER-OMP/pair_born_omp.cpp index 35669cb539..f75d4b9f35 100644 --- a/src/USER-OMP/pair_born_omp.cpp +++ b/src/USER-OMP/pair_born_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_born_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_brownian_omp.cpp b/src/USER-OMP/pair_brownian_omp.cpp index 9ea6a9187b..b1af821bba 100644 --- a/src/USER-OMP/pair_brownian_omp.cpp +++ b/src/USER-OMP/pair_brownian_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_brownian_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_brownian_poly_omp.cpp b/src/USER-OMP/pair_brownian_poly_omp.cpp index d8cb3bf06e..2e677ed535 100644 --- a/src/USER-OMP/pair_brownian_poly_omp.cpp +++ b/src/USER-OMP/pair_brownian_poly_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_brownian_poly_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_buck_coul_cut_omp.cpp b/src/USER-OMP/pair_buck_coul_cut_omp.cpp index ead60d70ac..8fa6be06b2 100644 --- a/src/USER-OMP/pair_buck_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_buck_coul_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_buck_coul_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_buck_coul_long_omp.cpp b/src/USER-OMP/pair_buck_coul_long_omp.cpp index 48750f8318..4d30eb3e82 100644 --- a/src/USER-OMP/pair_buck_coul_long_omp.cpp +++ b/src/USER-OMP/pair_buck_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_buck_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_buck_coul_msm_omp.cpp b/src/USER-OMP/pair_buck_coul_msm_omp.cpp index df94efc812..a8bca36394 100644 --- a/src/USER-OMP/pair_buck_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_buck_coul_msm_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_buck_coul_msm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp index dbcef106d2..4a67cf9544 100644 --- a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp +++ b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ -#include +#include #include "math_vector.h" #include "pair_buck_long_coul_long_omp.h" #include "atom.h" diff --git a/src/USER-OMP/pair_buck_omp.cpp b/src/USER-OMP/pair_buck_omp.cpp index 826fd78deb..f3fa32a5ea 100644 --- a/src/USER-OMP/pair_buck_omp.cpp +++ b/src/USER-OMP/pair_buck_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_buck_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_cdeam_omp.cpp b/src/USER-OMP/pair_cdeam_omp.cpp index 3bfe74e129..c3a9454567 100644 --- a/src/USER-OMP/pair_cdeam_omp.cpp +++ b/src/USER-OMP/pair_cdeam_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_cdeam_omp.h" #include "atom.h" diff --git a/src/USER-OMP/pair_colloid_omp.cpp b/src/USER-OMP/pair_colloid_omp.cpp index 4c6411f150..536b7644bd 100644 --- a/src/USER-OMP/pair_colloid_omp.cpp +++ b/src/USER-OMP/pair_colloid_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_colloid_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp index 2a0e6ceb23..8a77ab955f 100644 --- a/src/USER-OMP/pair_comb_omp.cpp +++ b/src/USER-OMP/pair_comb_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_comb_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_cut_omp.cpp b/src/USER-OMP/pair_coul_cut_omp.cpp index 381e7f83c2..b9ac72421e 100644 --- a/src/USER-OMP/pair_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_coul_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_coul_cut_soft_omp.cpp index af9c9472fa..c7e8c5e560 100644 --- a/src/USER-OMP/pair_coul_cut_soft_omp.cpp +++ b/src/USER-OMP/pair_coul_cut_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_cut_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_debye_omp.cpp b/src/USER-OMP/pair_coul_debye_omp.cpp index 0d9b117967..cb7a9025ce 100644 --- a/src/USER-OMP/pair_coul_debye_omp.cpp +++ b/src/USER-OMP/pair_coul_debye_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_debye_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_diel_omp.cpp b/src/USER-OMP/pair_coul_diel_omp.cpp index 577ba6bf65..c75e36b55e 100644 --- a/src/USER-OMP/pair_coul_diel_omp.cpp +++ b/src/USER-OMP/pair_coul_diel_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_diel_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_dsf_omp.cpp b/src/USER-OMP/pair_coul_dsf_omp.cpp index 4707fad733..740e3242ad 100644 --- a/src/USER-OMP/pair_coul_dsf_omp.cpp +++ b/src/USER-OMP/pair_coul_dsf_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_dsf_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_long_omp.cpp b/src/USER-OMP/pair_coul_long_omp.cpp index dc619913d6..eb74bb9615 100644 --- a/src/USER-OMP/pair_coul_long_omp.cpp +++ b/src/USER-OMP/pair_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_long_soft_omp.cpp b/src/USER-OMP/pair_coul_long_soft_omp.cpp index f44f95717d..4e65483a17 100644 --- a/src/USER-OMP/pair_coul_long_soft_omp.cpp +++ b/src/USER-OMP/pair_coul_long_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_long_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_msm_omp.cpp b/src/USER-OMP/pair_coul_msm_omp.cpp index baf9ceefb5..f4bc279532 100644 --- a/src/USER-OMP/pair_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_coul_msm_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_msm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_coul_wolf_omp.cpp b/src/USER-OMP/pair_coul_wolf_omp.cpp index c5080bc7de..bc86cdbf5d 100644 --- a/src/USER-OMP/pair_coul_wolf_omp.cpp +++ b/src/USER-OMP/pair_coul_wolf_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_coul_wolf_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_dpd_omp.cpp b/src/USER-OMP/pair_dpd_omp.cpp index 98e5af0d81..29b5568def 100644 --- a/src/USER-OMP/pair_dpd_omp.cpp +++ b/src/USER-OMP/pair_dpd_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_dpd_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_dpd_tstat_omp.cpp b/src/USER-OMP/pair_dpd_tstat_omp.cpp index ee697a2e96..0a9e96fa0c 100644 --- a/src/USER-OMP/pair_dpd_tstat_omp.cpp +++ b/src/USER-OMP/pair_dpd_tstat_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_dpd_tstat_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp index eea7383eac..bbb3b03b02 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.cpp +++ b/src/USER-OMP/pair_eam_alloy_omp.cpp @@ -15,9 +15,9 @@ Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_alloy_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp index c646632224..a678c887a0 100644 --- a/src/USER-OMP/pair_eam_fs_omp.cpp +++ b/src/USER-OMP/pair_eam_fs_omp.cpp @@ -15,9 +15,9 @@ Contributing authors: Tim Lau (MIT) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_eam_fs_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_eam_omp.cpp b/src/USER-OMP/pair_eam_omp.cpp index 9c28477af0..492ff79769 100644 --- a/src/USER-OMP/pair_eam_omp.cpp +++ b/src/USER-OMP/pair_eam_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_eam_omp.h" #include "atom.h" diff --git a/src/USER-OMP/pair_edip_omp.cpp b/src/USER-OMP/pair_edip_omp.cpp index 7c503ea8aa..5ad8c808ba 100644 --- a/src/USER-OMP/pair_edip_omp.cpp +++ b/src/USER-OMP/pair_edip_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_edip_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_eim_omp.cpp b/src/USER-OMP/pair_eim_omp.cpp index e98c035860..6a3e0bc529 100644 --- a/src/USER-OMP/pair_eim_omp.cpp +++ b/src/USER-OMP/pair_eim_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_eim_omp.h" #include "atom.h" diff --git a/src/USER-OMP/pair_gauss_cut_omp.cpp b/src/USER-OMP/pair_gauss_cut_omp.cpp index ad0eb77963..9a41dcc87e 100644 --- a/src/USER-OMP/pair_gauss_cut_omp.cpp +++ b/src/USER-OMP/pair_gauss_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_gauss_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_gauss_omp.cpp b/src/USER-OMP/pair_gauss_omp.cpp index 062da924e3..059c77c677 100644 --- a/src/USER-OMP/pair_gauss_omp.cpp +++ b/src/USER-OMP/pair_gauss_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_gauss_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_gayberne_omp.cpp b/src/USER-OMP/pair_gayberne_omp.cpp index 54e4496f22..5b0ff67afe 100644 --- a/src/USER-OMP/pair_gayberne_omp.cpp +++ b/src/USER-OMP/pair_gayberne_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_gayberne_omp.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-OMP/pair_gran_hertz_history_omp.cpp b/src/USER-OMP/pair_gran_hertz_history_omp.cpp index 046b71a73a..9854b8f9ff 100644 --- a/src/USER-OMP/pair_gran_hertz_history_omp.cpp +++ b/src/USER-OMP/pair_gran_hertz_history_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_gran_hertz_history_omp.h" #include "fix_neigh_history.h" #include "atom.h" diff --git a/src/USER-OMP/pair_gran_hooke_history_omp.cpp b/src/USER-OMP/pair_gran_hooke_history_omp.cpp index 2e7d55aff0..2327fc815a 100644 --- a/src/USER-OMP/pair_gran_hooke_history_omp.cpp +++ b/src/USER-OMP/pair_gran_hooke_history_omp.cpp @@ -12,7 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include +#include #include "pair_gran_hooke_history_omp.h" #include "fix_neigh_history.h" #include "atom.h" @@ -24,8 +25,6 @@ #include "neigh_list.h" #include "update.h" -#include - #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_gran_hooke_omp.cpp b/src/USER-OMP/pair_gran_hooke_omp.cpp index 3197b7076e..876fe9c4de 100644 --- a/src/USER-OMP/pair_gran_hooke_omp.cpp +++ b/src/USER-OMP/pair_gran_hooke_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_gran_hooke_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp index c22efffb5a..ec9da78b16 100644 --- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp +++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_hbond_dreiding_lj_omp.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp index 7debe5a68a..4965be43b8 100644 --- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp +++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_hbond_dreiding_morse_omp.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-OMP/pair_lj96_cut_omp.cpp b/src/USER-OMP/pair_lj96_cut_omp.cpp index e502a93acf..1cca674369 100644 --- a/src/USER-OMP/pair_lj96_cut_omp.cpp +++ b/src/USER-OMP/pair_lj96_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj96_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp index 1333ae2761..2f72f3851e 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_charmm_implicit_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp index 9fd41e61dd..b61a80a178 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_charmm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp index acbf61d9fd..5351ab9aea 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp index 4953c89a4d..ea5d739e49 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_long_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp index c603f0dd3a..3baa9597a8 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_charmm_coul_msm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp index 98c2b0d578..38390918c7 100644 --- a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_class2_coul_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp index 3038332c90..f47672c9bc 100644 --- a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_class2_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_class2_omp.cpp b/src/USER-OMP/pair_lj_class2_omp.cpp index ffb0ceaa0a..7ab4626c3e 100644 --- a/src/USER-OMP/pair_lj_class2_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_class2_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cubic_omp.cpp b/src/USER-OMP/pair_lj_cubic_omp.cpp index 1cea0f454a..3e8adb33b8 100644 --- a/src/USER-OMP/pair_lj_cubic_omp.cpp +++ b/src/USER-OMP/pair_lj_cubic_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cubic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp index 1f48b4245e..ea560a09bf 100644 --- a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp index f6ba7236a0..4ef12bb1bb 100644 --- a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_cut_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp index 9fc64cf38c..9163e98edd 100644 --- a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_debye_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp index d0b6c1b2dc..9d9c098f87 100644 --- a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_dsf_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp index 6746cf9701..d2eaae4ca4 100644 --- a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp index 5f0a3d57c4..725bfe4724 100644 --- a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_long_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp index fba8f552db..234204af93 100644 --- a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_msm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp index 51574b2ee7..36ef9d54f9 100644 --- a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_coul_wolf_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp index d9fd7ac72e..d4145d9835 100644 --- a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_dipole_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_omp.cpp index 34754975fb..319257b56b 100644 --- a/src/USER-OMP/pair_lj_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_soft_omp.cpp index 9147b9aa1c..7698f19b95 100644 --- a/src/USER-OMP/pair_lj_cut_soft_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp index 110b8917cf..536d5bcb86 100644 --- a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_thole_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp index 45797b2897..619e970bb0 100644 --- a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_tip4p_cut_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp index d05b13cd10..ca8f450dc6 100644 --- a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_tip4p_long_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp index b31c1c109b..80b17fba96 100644 --- a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_cut_tip4p_long_soft_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_lj_expand_omp.cpp b/src/USER-OMP/pair_lj_expand_omp.cpp index e0f64e471e..064ea97809 100644 --- a/src/USER-OMP/pair_lj_expand_omp.cpp +++ b/src/USER-OMP/pair_lj_expand_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_expand_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp index 954fbe7cce..c87f369d11 100644 --- a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp +++ b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_gromacs_coul_gromacs_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_omp.cpp index 84c46886e1..1d7cec5eef 100644 --- a/src/USER-OMP/pair_lj_gromacs_omp.cpp +++ b/src/USER-OMP/pair_lj_gromacs_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_gromacs_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp index 8cc4c95fc2..0afc230e92 100644 --- a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_long_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp index f4b5071afb..8c0d72c741 100644 --- a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp +++ b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_long_tip4p_long_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp index f388009bd8..c87f26204e 100644 --- a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_sdk_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp index 9d991d5812..8ff0cfe921 100644 --- a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp @@ -13,7 +13,7 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_sdk_coul_msm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_sdk_omp.cpp b/src/USER-OMP/pair_lj_sdk_omp.cpp index 36e170046d..e107399316 100644 --- a/src/USER-OMP/pair_lj_sdk_omp.cpp +++ b/src/USER-OMP/pair_lj_sdk_omp.cpp @@ -13,7 +13,7 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_sdk_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp index 29250b09f4..250f6ff272 100644 --- a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp +++ b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_sf_dipole_sf_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp index 9017ac740f..b06de641f5 100644 --- a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp +++ b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_smooth_linear_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lj_smooth_omp.cpp b/src/USER-OMP/pair_lj_smooth_omp.cpp index 9bf15035bd..36935616bf 100644 --- a/src/USER-OMP/pair_lj_smooth_omp.cpp +++ b/src/USER-OMP/pair_lj_smooth_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lj_smooth_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lubricate_omp.cpp b/src/USER-OMP/pair_lubricate_omp.cpp index 1c622f5641..fbfc24769b 100644 --- a/src/USER-OMP/pair_lubricate_omp.cpp +++ b/src/USER-OMP/pair_lubricate_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lubricate_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_lubricate_poly_omp.cpp b/src/USER-OMP/pair_lubricate_poly_omp.cpp index 2e7140e32b..825b3e8d70 100644 --- a/src/USER-OMP/pair_lubricate_poly_omp.cpp +++ b/src/USER-OMP/pair_lubricate_poly_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_lubricate_poly_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_meam_spline_omp.cpp b/src/USER-OMP/pair_meam_spline_omp.cpp index 4333d3b2a9..dfc3b978a2 100644 --- a/src/USER-OMP/pair_meam_spline_omp.cpp +++ b/src/USER-OMP/pair_meam_spline_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_meam_spline_omp.h" #include "atom.h" diff --git a/src/USER-OMP/pair_morse_omp.cpp b/src/USER-OMP/pair_morse_omp.cpp index 8aca4ef98f..922b67b463 100644 --- a/src/USER-OMP/pair_morse_omp.cpp +++ b/src/USER-OMP/pair_morse_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_morse_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp index 113f6f2a02..61cef69c37 100644 --- a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp +++ b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp @@ -13,7 +13,7 @@ Most code borrowed from pair_morse_omp.cpp ------------------------------------------------------------------------- */ -#include +#include #include "pair_morse_smooth_linear_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_nb3b_harmonic_omp.cpp b/src/USER-OMP/pair_nb3b_harmonic_omp.cpp index 199cbc9337..2ab96c43a0 100644 --- a/src/USER-OMP/pair_nb3b_harmonic_omp.cpp +++ b/src/USER-OMP/pair_nb3b_harmonic_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_nb3b_harmonic_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp index 38af84d1f7..fcbf5dbabb 100644 --- a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_nm_cut_coul_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp index bbcdfb26c3..b31387dbfe 100644 --- a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp +++ b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_nm_cut_coul_long_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_nm_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_omp.cpp index ea2d0fa7f5..79cd046311 100644 --- a/src/USER-OMP/pair_nm_cut_omp.cpp +++ b/src/USER-OMP/pair_nm_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_nm_cut_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_peri_lps_omp.cpp b/src/USER-OMP/pair_peri_lps_omp.cpp index a471b47750..7b174face7 100644 --- a/src/USER-OMP/pair_peri_lps_omp.cpp +++ b/src/USER-OMP/pair_peri_lps_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_peri_lps_omp.h" #include "fix.h" #include "fix_peri_neigh.h" diff --git a/src/USER-OMP/pair_peri_pmb_omp.cpp b/src/USER-OMP/pair_peri_pmb_omp.cpp index 1c14ff753c..8199d8aa47 100644 --- a/src/USER-OMP/pair_peri_pmb_omp.cpp +++ b/src/USER-OMP/pair_peri_pmb_omp.cpp @@ -12,8 +12,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_peri_pmb_omp.h" #include "fix.h" #include "fix_peri_neigh.h" diff --git a/src/USER-OMP/pair_resquared_omp.cpp b/src/USER-OMP/pair_resquared_omp.cpp index a1364133d0..1736e794f5 100644 --- a/src/USER-OMP/pair_resquared_omp.cpp +++ b/src/USER-OMP/pair_resquared_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_resquared_omp.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-OMP/pair_soft_omp.cpp b/src/USER-OMP/pair_soft_omp.cpp index 9a926652a8..a860ad97d9 100644 --- a/src/USER-OMP/pair_soft_omp.cpp +++ b/src/USER-OMP/pair_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_soft_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_sw_omp.cpp b/src/USER-OMP/pair_sw_omp.cpp index 9a63b4f439..e323fc4c37 100644 --- a/src/USER-OMP/pair_sw_omp.cpp +++ b/src/USER-OMP/pair_sw_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_sw_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_table_omp.cpp b/src/USER-OMP/pair_table_omp.cpp index d584061648..d27456e1b5 100644 --- a/src/USER-OMP/pair_table_omp.cpp +++ b/src/USER-OMP/pair_table_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_table_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp index 340eb3ebc5..fad077ca12 100644 --- a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp +++ b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tersoff_mod_c_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_tersoff_mod_omp.cpp b/src/USER-OMP/pair_tersoff_mod_omp.cpp index 403a61147b..04e54c6e69 100644 --- a/src/USER-OMP/pair_tersoff_mod_omp.cpp +++ b/src/USER-OMP/pair_tersoff_mod_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tersoff_mod_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_tersoff_omp.cpp b/src/USER-OMP/pair_tersoff_omp.cpp index db249b4ba9..a5afdc7509 100644 --- a/src/USER-OMP/pair_tersoff_omp.cpp +++ b/src/USER-OMP/pair_tersoff_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tersoff_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_tersoff_table_omp.cpp b/src/USER-OMP/pair_tersoff_table_omp.cpp index 9de9ee5708..de045f9c62 100644 --- a/src/USER-OMP/pair_tersoff_table_omp.cpp +++ b/src/USER-OMP/pair_tersoff_table_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tersoff_table_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp index f53778d1a1..ce3e6fea75 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp +++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp @@ -16,10 +16,10 @@ David Farrell (NWU) - ZBL addition ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_tersoff_zbl_omp.h" #include "atom.h" #include "update.h" diff --git a/src/USER-OMP/pair_tip4p_cut_omp.cpp b/src/USER-OMP/pair_tip4p_cut_omp.cpp index c3662ad642..85589cf043 100644 --- a/src/USER-OMP/pair_tip4p_cut_omp.cpp +++ b/src/USER-OMP/pair_tip4p_cut_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tip4p_cut_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_tip4p_long_omp.cpp b/src/USER-OMP/pair_tip4p_long_omp.cpp index bcd8659a54..c6c4bfe5fc 100644 --- a/src/USER-OMP/pair_tip4p_long_omp.cpp +++ b/src/USER-OMP/pair_tip4p_long_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tip4p_long_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_tip4p_long_soft_omp.cpp b/src/USER-OMP/pair_tip4p_long_soft_omp.cpp index 2f16a28b8c..7e9d3b6dff 100644 --- a/src/USER-OMP/pair_tip4p_long_soft_omp.cpp +++ b/src/USER-OMP/pair_tip4p_long_soft_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_tip4p_long_soft_omp.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-OMP/pair_ufm_omp.cpp b/src/USER-OMP/pair_ufm_omp.cpp index b2e2cd29ee..ff258b5b3b 100644 --- a/src/USER-OMP/pair_ufm_omp.cpp +++ b/src/USER-OMP/pair_ufm_omp.cpp @@ -14,7 +14,7 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ -#include +#include #include "pair_ufm_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_vashishta_omp.cpp b/src/USER-OMP/pair_vashishta_omp.cpp index c432738f62..194a3e2d86 100644 --- a/src/USER-OMP/pair_vashishta_omp.cpp +++ b/src/USER-OMP/pair_vashishta_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_vashishta_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_vashishta_table_omp.cpp b/src/USER-OMP/pair_vashishta_table_omp.cpp index d2298dca09..e0d96d8bb6 100644 --- a/src/USER-OMP/pair_vashishta_table_omp.cpp +++ b/src/USER-OMP/pair_vashishta_table_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_vashishta_table_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_yukawa_colloid_omp.cpp b/src/USER-OMP/pair_yukawa_colloid_omp.cpp index cc05fc9155..c1d2133a1c 100644 --- a/src/USER-OMP/pair_yukawa_colloid_omp.cpp +++ b/src/USER-OMP/pair_yukawa_colloid_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_yukawa_colloid_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_yukawa_omp.cpp b/src/USER-OMP/pair_yukawa_omp.cpp index c705446f05..cbfd627f97 100644 --- a/src/USER-OMP/pair_yukawa_omp.cpp +++ b/src/USER-OMP/pair_yukawa_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_yukawa_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_zbl_omp.cpp b/src/USER-OMP/pair_zbl_omp.cpp index 1d69487eb2..788679434b 100644 --- a/src/USER-OMP/pair_zbl_omp.cpp +++ b/src/USER-OMP/pair_zbl_omp.cpp @@ -12,7 +12,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "pair_zbl_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pppm_cg_omp.cpp b/src/USER-OMP/pppm_cg_omp.cpp index eb230a3bb4..990c50932e 100644 --- a/src/USER-OMP/pppm_cg_omp.cpp +++ b/src/USER-OMP/pppm_cg_omp.cpp @@ -15,6 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include +#include #include "pppm_cg_omp.h" #include "atom.h" #include "comm.h" @@ -27,9 +29,6 @@ #include "math_const.h" #include "math_special.h" -#include -#include - #include "suffix.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pppm_disp_omp.cpp b/src/USER-OMP/pppm_disp_omp.cpp index 74881c9a8a..97bb909a2c 100644 --- a/src/USER-OMP/pppm_disp_omp.cpp +++ b/src/USER-OMP/pppm_disp_omp.cpp @@ -16,6 +16,8 @@ Rolf Isele-Holder (RWTH Aachen University) ------------------------------------------------------------------------- */ +#include +#include #include "pppm_disp_omp.h" #include "atom.h" #include "comm.h" @@ -24,9 +26,6 @@ #include "memory.h" #include "math_const.h" -#include -#include - #include "suffix.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -358,7 +357,7 @@ void PPPMDispOMP::particle_map(double dxinv, double dyinv, const int nyhi_out = nyhi_o; const int nzhi_out = nzhi_o; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions. Simulation unstable."); int i, flag = 0; diff --git a/src/USER-OMP/pppm_disp_tip4p_omp.cpp b/src/USER-OMP/pppm_disp_tip4p_omp.cpp index 49e3681f6e..2f7fbbea55 100644 --- a/src/USER-OMP/pppm_disp_tip4p_omp.cpp +++ b/src/USER-OMP/pppm_disp_tip4p_omp.cpp @@ -15,6 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include +#include #include "pppm_disp_tip4p_omp.h" #include "atom.h" #include "comm.h" @@ -26,9 +28,6 @@ #include "math_const.h" #include "math_special.h" -#include -#include - #include "suffix.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -355,7 +354,7 @@ void PPPMDispTIP4POMP::particle_map_c(double dxinv, double dyinv, const int nyhi_out = nyhi_o; const int nzhi_out = nzhi_o; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int i, flag = 0; diff --git a/src/USER-OMP/pppm_omp.cpp b/src/USER-OMP/pppm_omp.cpp index ef03ef1bba..e9c24a000c 100644 --- a/src/USER-OMP/pppm_omp.cpp +++ b/src/USER-OMP/pppm_omp.cpp @@ -15,6 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include +#include #include "pppm_omp.h" #include "atom.h" #include "comm.h" @@ -26,9 +28,6 @@ #include "math_const.h" #include "math_special.h" -#include -#include - #include "suffix.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pppm_tip4p_omp.cpp b/src/USER-OMP/pppm_tip4p_omp.cpp index f9733ed95b..29966216da 100644 --- a/src/USER-OMP/pppm_tip4p_omp.cpp +++ b/src/USER-OMP/pppm_tip4p_omp.cpp @@ -15,6 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include +#include #include "pppm_tip4p_omp.h" #include "atom.h" #include "comm.h" @@ -26,9 +28,6 @@ #include "math_const.h" #include "math_special.h" -#include -#include - #include "suffix.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -348,7 +347,7 @@ void PPPMTIP4POMP::particle_map() const double boxloz = boxlo[2]; const int nlocal = atom->nlocal; - if (!ISFINITE(boxlo[0]) || !ISFINITE(boxlo[1]) || !ISFINITE(boxlo[2])) + if (!std::isfinite(boxlo[0]) || !std::isfinite(boxlo[1]) || !std::isfinite(boxlo[2])) error->one(FLERR,"Non-numeric box dimensions - simulation unstable"); int i, flag = 0; diff --git a/src/USER-OMP/respa_omp.cpp b/src/USER-OMP/respa_omp.cpp index d4fa529b1c..9c8555c66d 100644 --- a/src/USER-OMP/respa_omp.cpp +++ b/src/USER-OMP/respa_omp.cpp @@ -15,8 +15,8 @@ Contributing authors: Mark Stevens (SNL), Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "respa_omp.h" #include "neighbor.h" #include "domain.h" diff --git a/src/USER-OMP/thr_data.cpp b/src/USER-OMP/thr_data.cpp index 9d0b657b30..612c36053c 100644 --- a/src/USER-OMP/thr_data.cpp +++ b/src/USER-OMP/thr_data.cpp @@ -16,10 +16,10 @@ per-thread data management for LAMMPS ------------------------------------------------------------------------- */ -#include "thr_data.h" +#include +#include -#include -#include +#include "thr_data.h" #include "memory.h" #include "timer.h" diff --git a/src/USER-OMP/thr_omp.cpp b/src/USER-OMP/thr_omp.cpp index 4eaf09fb9a..22f751e6c0 100644 --- a/src/USER-OMP/thr_omp.cpp +++ b/src/USER-OMP/thr_omp.cpp @@ -16,6 +16,8 @@ OpenMP based threading support for LAMMPS ------------------------------------------------------------------------- */ +#include + #include "atom.h" #include "comm.h" #include "error.h" @@ -37,8 +39,6 @@ #include "math_const.h" -#include - using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-PHONON/fix_phonon.cpp b/src/USER-PHONON/fix_phonon.cpp index a0fa614eca..cf56117892 100644 --- a/src/USER-PHONON/fix_phonon.cpp +++ b/src/USER-PHONON/fix_phonon.cpp @@ -23,9 +23,9 @@ konglt@sjtu.edu.cn; konglt@gmail.com ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_phonon.h" #include "fft3d_wrap.h" #include "atom.h" diff --git a/src/USER-QMMM/fix_qmmm.cpp b/src/USER-QMMM/fix_qmmm.cpp index 7fae85f7df..f1a34d9538 100644 --- a/src/USER-QMMM/fix_qmmm.cpp +++ b/src/USER-QMMM/fix_qmmm.cpp @@ -15,6 +15,8 @@ Contributing author: Axel Kohlmeyer (ICTP) ------------------------------------------------------------------------- */ +#include +#include #include "fix_qmmm.h" #include "atom.h" #include "domain.h" @@ -25,9 +27,6 @@ #include "group.h" #include "memory.h" -#include -#include - #include "libqmmm.h" // message tags for QM/MM inter communicator communication diff --git a/src/USER-QTB/fix_qbmsst.cpp b/src/USER-QTB/fix_qbmsst.cpp index 21ae464e10..fa5ee75bcb 100644 --- a/src/USER-QTB/fix_qbmsst.cpp +++ b/src/USER-QTB/fix_qbmsst.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_qbmsst.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-QTB/fix_qtb.cpp b/src/USER-QTB/fix_qtb.cpp index 98dd498088..7f9a6510be 100644 --- a/src/USER-QTB/fix_qtb.cpp +++ b/src/USER-QTB/fix_qtb.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_qtb.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-QUIP/pair_quip.cpp b/src/USER-QUIP/pair_quip.cpp index 6bbbcdb8e6..f8968bfda2 100644 --- a/src/USER-QUIP/pair_quip.cpp +++ b/src/USER-QUIP/pair_quip.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_quip.h" #include "atom.h" #include "update.h" diff --git a/src/USER-REAXC/compute_spec_atom.cpp b/src/USER-REAXC/compute_spec_atom.cpp index e913225492..77b82b3e55 100644 --- a/src/USER-REAXC/compute_spec_atom.cpp +++ b/src/USER-REAXC/compute_spec_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_spec_atom.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp index 326af7505a..a2f4d3d0e9 100644 --- a/src/USER-REAXC/fix_qeq_reax.cpp +++ b/src/USER-REAXC/fix_qeq_reax.cpp @@ -18,10 +18,10 @@ Hybrid and sub-group capabilities: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_qeq_reax.h" #include "pair_reaxc.h" #include "atom.h" diff --git a/src/USER-REAXC/fix_reaxc_bonds.cpp b/src/USER-REAXC/fix_reaxc_bonds.cpp index 09ca132635..b38d137412 100644 --- a/src/USER-REAXC/fix_reaxc_bonds.cpp +++ b/src/USER-REAXC/fix_reaxc_bonds.cpp @@ -15,8 +15,8 @@ Contributing author: Ray Shan (Sandia, tnshan@sandia.gov) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_ave_atom.h" #include "fix_reaxc_bonds.h" #include "atom.h" diff --git a/src/USER-REAXC/fix_reaxc_bonds.h b/src/USER-REAXC/fix_reaxc_bonds.h index e1dcd82c0e..d72f5446b5 100644 --- a/src/USER-REAXC/fix_reaxc_bonds.h +++ b/src/USER-REAXC/fix_reaxc_bonds.h @@ -20,7 +20,7 @@ FixStyle(reax/c/bonds,FixReaxCBonds) #ifndef LMP_FIX_REAXC_BONDS_H #define LMP_FIX_REAXC_BONDS_H -#include +#include #include "fix.h" #include "pointers.h" diff --git a/src/USER-REAXC/fix_reaxc_species.cpp b/src/USER-REAXC/fix_reaxc_species.cpp index 181c9bcd31..61b4cebf96 100644 --- a/src/USER-REAXC/fix_reaxc_species.cpp +++ b/src/USER-REAXC/fix_reaxc_species.cpp @@ -16,12 +16,12 @@ Oleg Sergeev (VNIIA, sergeev@vniia.ru) ------------------------------------------------------------------------- */ -#include -#include -#include "atom.h" -#include +#include +#include +#include #include "fix_ave_atom.h" #include "fix_reaxc_species.h" +#include "atom.h" #include "domain.h" #include "update.h" #include "pair_reaxc.h" diff --git a/src/USER-REAXC/reaxc_types.h b/src/USER-REAXC/reaxc_types.h index fb1a9a853a..2666fcf85c 100644 --- a/src/USER-REAXC/reaxc_types.h +++ b/src/USER-REAXC/reaxc_types.h @@ -27,20 +27,20 @@ #ifndef __REAX_TYPES_H_ #define __REAX_TYPES_H_ +#include #include "lmptype.h" -#include -#include -#include -#include -#include -#include -#include "sys/time.h" -#include +#include +#include +#include +#include +#include +#include +#include #include "accelerator_kokkos.h" #if defined LMP_USER_OMP -#define OMP_TIMING 1 +#define OMP_TIMING 0 #ifdef OMP_TIMING // pkcoff timing fields diff --git a/src/USER-SMD/atom_vec_smd.cpp b/src/USER-SMD/atom_vec_smd.cpp index ca38ca7ab5..e99f3c5169 100644 --- a/src/USER-SMD/atom_vec_smd.cpp +++ b/src/USER-SMD/atom_vec_smd.cpp @@ -22,9 +22,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_smd.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-SMD/compute_smd_contact_radius.cpp b/src/USER-SMD/compute_smd_contact_radius.cpp index 991b1a2e67..8193ad6ccf 100644 --- a/src/USER-SMD/compute_smd_contact_radius.cpp +++ b/src/USER-SMD/compute_smd_contact_radius.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_contact_radius.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_damage.cpp b/src/USER-SMD/compute_smd_damage.cpp index 7cb4d2b4b8..9603fd5c64 100644 --- a/src/USER-SMD/compute_smd_damage.cpp +++ b/src/USER-SMD/compute_smd_damage.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_damage.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_hourglass_error.cpp b/src/USER-SMD/compute_smd_hourglass_error.cpp index 1502f7ccb5..3b6b900004 100644 --- a/src/USER-SMD/compute_smd_hourglass_error.cpp +++ b/src/USER-SMD/compute_smd_hourglass_error.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_hourglass_error.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_internal_energy.cpp b/src/USER-SMD/compute_smd_internal_energy.cpp index aabaa8906c..d937aa98a4 100644 --- a/src/USER-SMD/compute_smd_internal_energy.cpp +++ b/src/USER-SMD/compute_smd_internal_energy.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_internal_energy.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_plastic_strain.cpp b/src/USER-SMD/compute_smd_plastic_strain.cpp index 86a5c6329f..67466ebb72 100644 --- a/src/USER-SMD/compute_smd_plastic_strain.cpp +++ b/src/USER-SMD/compute_smd_plastic_strain.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_plastic_strain.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_plastic_strain_rate.cpp b/src/USER-SMD/compute_smd_plastic_strain_rate.cpp index 899e456c88..20dfa64edd 100644 --- a/src/USER-SMD/compute_smd_plastic_strain_rate.cpp +++ b/src/USER-SMD/compute_smd_plastic_strain_rate.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_plastic_strain_rate.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_rho.cpp b/src/USER-SMD/compute_smd_rho.cpp index cb97755aca..5c78e604b6 100644 --- a/src/USER-SMD/compute_smd_rho.cpp +++ b/src/USER-SMD/compute_smd_rho.cpp @@ -22,7 +22,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_rho.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_tlsph_defgrad.cpp b/src/USER-SMD/compute_smd_tlsph_defgrad.cpp index 3ba66a656c..37ad78dcea 100644 --- a/src/USER-SMD/compute_smd_tlsph_defgrad.cpp +++ b/src/USER-SMD/compute_smd_tlsph_defgrad.cpp @@ -22,7 +22,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include +#include +#include +#include #include "compute_smd_tlsph_defgrad.h" #include "atom.h" #include "update.h" @@ -32,11 +36,6 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include -#include -#include -#include -#include using namespace Eigen; using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_tlsph_dt.cpp b/src/USER-SMD/compute_smd_tlsph_dt.cpp index 6d573775fa..7752436b8a 100644 --- a/src/USER-SMD/compute_smd_tlsph_dt.cpp +++ b/src/USER-SMD/compute_smd_tlsph_dt.cpp @@ -22,7 +22,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_tlsph_dt.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_tlsph_num_neighs.cpp b/src/USER-SMD/compute_smd_tlsph_num_neighs.cpp index d0df4ff3d7..347b138412 100644 --- a/src/USER-SMD/compute_smd_tlsph_num_neighs.cpp +++ b/src/USER-SMD/compute_smd_tlsph_num_neighs.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_tlsph_num_neighs.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_tlsph_shape.cpp b/src/USER-SMD/compute_smd_tlsph_shape.cpp index d9dc070f6b..bbab274b5c 100644 --- a/src/USER-SMD/compute_smd_tlsph_shape.cpp +++ b/src/USER-SMD/compute_smd_tlsph_shape.cpp @@ -22,7 +22,12 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include +#include +#include +#include +#include #include "compute_smd_tlsph_shape.h" #include "atom.h" #include "update.h" @@ -32,12 +37,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include -#include -#include -#include -#include -#include + using namespace Eigen; using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_tlsph_strain.cpp b/src/USER-SMD/compute_smd_tlsph_strain.cpp index ea137d5b2a..a94a3cd511 100644 --- a/src/USER-SMD/compute_smd_tlsph_strain.cpp +++ b/src/USER-SMD/compute_smd_tlsph_strain.cpp @@ -23,7 +23,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include +#include +#include +#include #include "compute_smd_tlsph_strain.h" #include "atom.h" #include "update.h" @@ -33,11 +37,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include -#include -#include -#include -#include + using namespace Eigen; using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp b/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp index ed3525f4ad..895a973f6a 100644 --- a/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp +++ b/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp @@ -23,7 +23,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include #include "compute_smd_tlsph_strain_rate.h" #include "atom.h" #include "update.h" @@ -33,7 +34,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include + using namespace Eigen; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_tlsph_stress.cpp b/src/USER-SMD/compute_smd_tlsph_stress.cpp index cbcb4c45af..a54b07dd1e 100644 --- a/src/USER-SMD/compute_smd_tlsph_stress.cpp +++ b/src/USER-SMD/compute_smd_tlsph_stress.cpp @@ -22,7 +22,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include #include "compute_smd_tlsph_stress.h" #include "atom.h" #include "update.h" @@ -32,7 +33,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include + using namespace Eigen; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_triangle_mesh_vertices.cpp b/src/USER-SMD/compute_smd_triangle_mesh_vertices.cpp index e43dadb47a..67ec27778a 100644 --- a/src/USER-SMD/compute_smd_triangle_mesh_vertices.cpp +++ b/src/USER-SMD/compute_smd_triangle_mesh_vertices.cpp @@ -23,7 +23,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include +#include +#include +#include #include "compute_smd_triangle_mesh_vertices.h" #include "atom.h" #include "update.h" @@ -33,11 +37,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include -#include -#include -#include -#include + using namespace Eigen; using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_ulsph_effm.cpp b/src/USER-SMD/compute_smd_ulsph_effm.cpp index 9453d8cfa6..fc8637bbf0 100644 --- a/src/USER-SMD/compute_smd_ulsph_effm.cpp +++ b/src/USER-SMD/compute_smd_ulsph_effm.cpp @@ -22,7 +22,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_ulsph_effm.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_ulsph_num_neighs.cpp b/src/USER-SMD/compute_smd_ulsph_num_neighs.cpp index efe6bba47e..4ef339db98 100644 --- a/src/USER-SMD/compute_smd_ulsph_num_neighs.cpp +++ b/src/USER-SMD/compute_smd_ulsph_num_neighs.cpp @@ -23,7 +23,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_ulsph_num_neighs.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/compute_smd_ulsph_strain.cpp b/src/USER-SMD/compute_smd_ulsph_strain.cpp index c7fcc909f3..89b85f7bc1 100644 --- a/src/USER-SMD/compute_smd_ulsph_strain.cpp +++ b/src/USER-SMD/compute_smd_ulsph_strain.cpp @@ -23,7 +23,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include +#include +#include +#include #include "compute_smd_ulsph_strain.h" #include "atom.h" #include "update.h" @@ -33,11 +37,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include -#include -#include -#include -#include + using namespace Eigen; using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_ulsph_strain_rate.cpp b/src/USER-SMD/compute_smd_ulsph_strain_rate.cpp index 0d472a368a..f5ff4fef98 100644 --- a/src/USER-SMD/compute_smd_ulsph_strain_rate.cpp +++ b/src/USER-SMD/compute_smd_ulsph_strain_rate.cpp @@ -22,7 +22,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include #include "compute_smd_ulsph_strain_rate.h" #include "atom.h" #include "update.h" @@ -32,7 +33,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include + using namespace Eigen; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_ulsph_stress.cpp b/src/USER-SMD/compute_smd_ulsph_stress.cpp index 7069feced3..7f1bbc4c29 100644 --- a/src/USER-SMD/compute_smd_ulsph_stress.cpp +++ b/src/USER-SMD/compute_smd_ulsph_stress.cpp @@ -22,7 +22,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include +#include #include "compute_smd_ulsph_stress.h" #include "atom.h" #include "update.h" @@ -32,7 +33,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include + using namespace Eigen; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/compute_smd_vol.cpp b/src/USER-SMD/compute_smd_vol.cpp index 3573ee6a6c..17a6b556e8 100644 --- a/src/USER-SMD/compute_smd_vol.cpp +++ b/src/USER-SMD/compute_smd_vol.cpp @@ -22,7 +22,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_smd_vol.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/fix_smd_adjust_dt.cpp b/src/USER-SMD/fix_smd_adjust_dt.cpp index d2570b6bdc..3685248d5e 100644 --- a/src/USER-SMD/fix_smd_adjust_dt.cpp +++ b/src/USER-SMD/fix_smd_adjust_dt.cpp @@ -22,9 +22,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_smd_adjust_dt.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/fix_smd_integrate_tlsph.cpp b/src/USER-SMD/fix_smd_integrate_tlsph.cpp index 2744211d87..4668e673fc 100644 --- a/src/USER-SMD/fix_smd_integrate_tlsph.cpp +++ b/src/USER-SMD/fix_smd_integrate_tlsph.cpp @@ -22,9 +22,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include +#include +#include #include "fix_smd_integrate_tlsph.h" #include "atom.h" #include "force.h" @@ -32,13 +34,10 @@ #include "error.h" #include "pair.h" #include "neigh_list.h" -#include #include "domain.h" #include "neighbor.h" #include "comm.h" #include "modify.h" -#include -#include using namespace Eigen; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/fix_smd_integrate_ulsph.cpp b/src/USER-SMD/fix_smd_integrate_ulsph.cpp index 9b892bf259..a145deeb61 100644 --- a/src/USER-SMD/fix_smd_integrate_ulsph.cpp +++ b/src/USER-SMD/fix_smd_integrate_ulsph.cpp @@ -22,12 +22,12 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include +#include +#include #include "fix_smd_integrate_ulsph.h" -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" @@ -41,7 +41,6 @@ #include "error.h" #include "pair.h" #include "domain.h" -#include using namespace Eigen; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/fix_smd_move_triangulated_surface.cpp b/src/USER-SMD/fix_smd_move_triangulated_surface.cpp index d8a0bda4d0..d4afbe0535 100644 --- a/src/USER-SMD/fix_smd_move_triangulated_surface.cpp +++ b/src/USER-SMD/fix_smd_move_triangulated_surface.cpp @@ -22,12 +22,12 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include +#include +#include #include "fix_smd_move_triangulated_surface.h" -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" @@ -41,7 +41,6 @@ #include "error.h" #include "pair.h" #include "domain.h" -#include #include "math_const.h" using namespace Eigen; diff --git a/src/USER-SMD/fix_smd_setvel.cpp b/src/USER-SMD/fix_smd_setvel.cpp index 0c2dc31f45..5e7cdbad38 100644 --- a/src/USER-SMD/fix_smd_setvel.cpp +++ b/src/USER-SMD/fix_smd_setvel.cpp @@ -23,8 +23,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_smd_setvel.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp b/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp index da0533c88b..3e2812aa12 100644 --- a/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp +++ b/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp @@ -24,15 +24,16 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "lattice.h" #include -#include -#include +#include +#include +#include #include "fix_smd_tlsph_reference_configuration.h" #include "atom.h" #include "comm.h" #include "neighbor.h" #include "neigh_list.h" +#include "lattice.h" #include "force.h" #include "pair.h" #include "update.h" @@ -40,7 +41,6 @@ #include "memory.h" #include "error.h" #include "domain.h" -#include #include "smd_kernels.h" #include "smd_math.h" diff --git a/src/USER-SMD/fix_smd_wall_surface.cpp b/src/USER-SMD/fix_smd_wall_surface.cpp index 53232af001..4bd5078cb8 100644 --- a/src/USER-SMD/fix_smd_wall_surface.cpp +++ b/src/USER-SMD/fix_smd_wall_surface.cpp @@ -15,7 +15,10 @@ Contributing authors: Mike Parks (SNL), Ezwanur Rahman, J.T. Foster (UTSA) ------------------------------------------------------------------------- */ -#include +#include +#include +#include +#include #include "fix_smd_wall_surface.h" #include "atom.h" #include "domain.h" @@ -29,10 +32,7 @@ #include "lattice.h" #include "memory.h" #include "error.h" -#include -#include #include "atom_vec.h" -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-SMD/pair_smd_hertz.cpp b/src/USER-SMD/pair_smd_hertz.cpp index 9b26382965..815db4a450 100644 --- a/src/USER-SMD/pair_smd_hertz.cpp +++ b/src/USER-SMD/pair_smd_hertz.cpp @@ -26,10 +26,10 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_smd_hertz.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-SMD/pair_smd_tlsph.cpp b/src/USER-SMD/pair_smd_tlsph.cpp index 1a600b393e..4dd16c4d83 100644 --- a/src/USER-SMD/pair_smd_tlsph.cpp +++ b/src/USER-SMD/pair_smd_tlsph.cpp @@ -22,15 +22,19 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "group.h" -#include -#include -#include -#include +#include +#include +#include +#include +#include +#include +#include +#include #include "pair_smd_tlsph.h" #include "fix_smd_tlsph_reference_configuration.h" #include "atom.h" #include "domain.h" +#include "group.h" #include "force.h" #include "update.h" #include "modify.h" @@ -41,15 +45,12 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include -#include #include "math_special.h" -#include #include "update.h" -#include #include "smd_material_models.h" #include "smd_kernels.h" #include "smd_math.h" + using namespace SMD_Kernels; using namespace Eigen; using namespace std; diff --git a/src/USER-SMD/pair_smd_triangulated_surface.cpp b/src/USER-SMD/pair_smd_triangulated_surface.cpp index a62e262b7a..b8bff7e799 100644 --- a/src/USER-SMD/pair_smd_triangulated_surface.cpp +++ b/src/USER-SMD/pair_smd_triangulated_surface.cpp @@ -26,10 +26,13 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include +#include +#include +#include #include "pair_smd_triangulated_surface.h" #include "atom.h" #include "domain.h" @@ -43,9 +46,6 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include -#include -#include using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/pair_smd_ulsph.cpp b/src/USER-SMD/pair_smd_ulsph.cpp index fcb5e7eeb0..96eb912fae 100644 --- a/src/USER-SMD/pair_smd_ulsph.cpp +++ b/src/USER-SMD/pair_smd_ulsph.cpp @@ -22,10 +22,12 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include +#include +#include #include "pair_smd_ulsph.h" #include "atom.h" #include "domain.h" @@ -39,8 +41,6 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include -#include #include "smd_material_models.h" #include "smd_math.h" #include "smd_kernels.h" diff --git a/src/USER-SMD/smd_material_models.cpp b/src/USER-SMD/smd_material_models.cpp index 93228f3724..e3deb199b6 100644 --- a/src/USER-SMD/smd_material_models.cpp +++ b/src/USER-SMD/smd_material_models.cpp @@ -22,8 +22,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include +#include #include "math_special.h" -#include #include diff --git a/src/USER-SMTBQ/pair_smtbq.cpp b/src/USER-SMTBQ/pair_smtbq.cpp index 937b9e5117..1028d8a897 100644 --- a/src/USER-SMTBQ/pair_smtbq.cpp +++ b/src/USER-SMTBQ/pair_smtbq.cpp @@ -38,10 +38,10 @@ . ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_smtbq.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-SPH/atom_vec_meso.cpp b/src/USER-SPH/atom_vec_meso.cpp index daa7c10740..7dc6c6f7bd 100644 --- a/src/USER-SPH/atom_vec_meso.cpp +++ b/src/USER-SPH/atom_vec_meso.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_meso.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-SPH/compute_meso_e_atom.cpp b/src/USER-SPH/compute_meso_e_atom.cpp index dc8d0b55ad..e39dee2b5f 100644 --- a/src/USER-SPH/compute_meso_e_atom.cpp +++ b/src/USER-SPH/compute_meso_e_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_meso_e_atom.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SPH/compute_meso_rho_atom.cpp b/src/USER-SPH/compute_meso_rho_atom.cpp index 9b4da8b339..eeb3f987bc 100644 --- a/src/USER-SPH/compute_meso_rho_atom.cpp +++ b/src/USER-SPH/compute_meso_rho_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_meso_rho_atom.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SPH/compute_meso_t_atom.cpp b/src/USER-SPH/compute_meso_t_atom.cpp index d901f73eff..dc4f3407f1 100644 --- a/src/USER-SPH/compute_meso_t_atom.cpp +++ b/src/USER-SPH/compute_meso_t_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_meso_t_atom.h" #include "atom.h" #include "update.h" diff --git a/src/USER-SPH/fix_meso.cpp b/src/USER-SPH/fix_meso.cpp index 665c9e0f3f..d7a5d81517 100644 --- a/src/USER-SPH/fix_meso.cpp +++ b/src/USER-SPH/fix_meso.cpp @@ -11,12 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include +#include #include "fix_meso.h" -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/USER-SPH/fix_meso_stationary.cpp b/src/USER-SPH/fix_meso_stationary.cpp index 0607f2f3d0..f5fc306320 100644 --- a/src/USER-SPH/fix_meso_stationary.cpp +++ b/src/USER-SPH/fix_meso_stationary.cpp @@ -11,12 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include +#include #include "fix_meso_stationary.h" -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/USER-SPH/pair_sph_heatconduction.cpp b/src/USER-SPH/pair_sph_heatconduction.cpp index 02e667e437..6f0cf7eca2 100644 --- a/src/USER-SPH/pair_sph_heatconduction.cpp +++ b/src/USER-SPH/pair_sph_heatconduction.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_sph_heatconduction.h" #include "atom.h" #include "force.h" diff --git a/src/USER-SPH/pair_sph_idealgas.cpp b/src/USER-SPH/pair_sph_idealgas.cpp index 2ba0d9bfbe..99fba05917 100644 --- a/src/USER-SPH/pair_sph_idealgas.cpp +++ b/src/USER-SPH/pair_sph_idealgas.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_sph_idealgas.h" #include "atom.h" #include "force.h" diff --git a/src/USER-SPH/pair_sph_lj.cpp b/src/USER-SPH/pair_sph_lj.cpp index 98752ac126..5cefdf87c4 100644 --- a/src/USER-SPH/pair_sph_lj.cpp +++ b/src/USER-SPH/pair_sph_lj.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_sph_lj.h" #include "atom.h" #include "force.h" diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp index 4bff0ec27c..605187d3a7 100644 --- a/src/USER-SPH/pair_sph_rhosum.cpp +++ b/src/USER-SPH/pair_sph_rhosum.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_sph_rhosum.h" #include "atom.h" #include "force.h" diff --git a/src/USER-SPH/pair_sph_taitwater.cpp b/src/USER-SPH/pair_sph_taitwater.cpp index b1887c6164..00500b940d 100644 --- a/src/USER-SPH/pair_sph_taitwater.cpp +++ b/src/USER-SPH/pair_sph_taitwater.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_sph_taitwater.h" #include "atom.h" #include "force.h" diff --git a/src/USER-SPH/pair_sph_taitwater_morris.cpp b/src/USER-SPH/pair_sph_taitwater_morris.cpp index 76b538e46b..80607cb333 100644 --- a/src/USER-SPH/pair_sph_taitwater_morris.cpp +++ b/src/USER-SPH/pair_sph_taitwater_morris.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_sph_taitwater_morris.h" #include "atom.h" #include "force.h" diff --git a/src/USER-TALLY/compute_force_tally.cpp b/src/USER-TALLY/compute_force_tally.cpp index 3ec6c188fc..0ec1d332a4 100644 --- a/src/USER-TALLY/compute_force_tally.cpp +++ b/src/USER-TALLY/compute_force_tally.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_force_tally.h" #include "atom.h" #include "group.h" diff --git a/src/USER-TALLY/compute_heat_flux_tally.cpp b/src/USER-TALLY/compute_heat_flux_tally.cpp index 43b663b27a..f8db92a730 100644 --- a/src/USER-TALLY/compute_heat_flux_tally.cpp +++ b/src/USER-TALLY/compute_heat_flux_tally.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_heat_flux_tally.h" #include "atom.h" #include "group.h" diff --git a/src/USER-TALLY/compute_pe_mol_tally.cpp b/src/USER-TALLY/compute_pe_mol_tally.cpp index 0328740e03..264ddca270 100644 --- a/src/USER-TALLY/compute_pe_mol_tally.cpp +++ b/src/USER-TALLY/compute_pe_mol_tally.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_pe_mol_tally.h" #include "atom.h" #include "group.h" diff --git a/src/USER-TALLY/compute_pe_tally.cpp b/src/USER-TALLY/compute_pe_tally.cpp index caa4cf134a..3031915ebe 100644 --- a/src/USER-TALLY/compute_pe_tally.cpp +++ b/src/USER-TALLY/compute_pe_tally.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_pe_tally.h" #include "atom.h" #include "group.h" diff --git a/src/USER-TALLY/compute_stress_tally.cpp b/src/USER-TALLY/compute_stress_tally.cpp index e44313d695..8ed40ae8e2 100644 --- a/src/USER-TALLY/compute_stress_tally.cpp +++ b/src/USER-TALLY/compute_stress_tally.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_stress_tally.h" #include "atom.h" #include "group.h" diff --git a/src/USER-UEF/compute_pressure_uef.cpp b/src/USER-UEF/compute_pressure_uef.cpp index 43054d7d3f..8b62853042 100644 --- a/src/USER-UEF/compute_pressure_uef.cpp +++ b/src/USER-UEF/compute_pressure_uef.cpp @@ -14,8 +14,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_pressure_uef.h" #include "fix_nh_uef.h" #include "update.h" diff --git a/src/USER-UEF/compute_temp_uef.cpp b/src/USER-UEF/compute_temp_uef.cpp index 6055524056..999296ec7e 100644 --- a/src/USER-UEF/compute_temp_uef.cpp +++ b/src/USER-UEF/compute_temp_uef.cpp @@ -13,8 +13,8 @@ Contributing author: David Nicholson (MIT) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_temp_uef.h" #include "fix_nh_uef.h" #include "update.h" diff --git a/src/USER-UEF/dump_cfg_uef.cpp b/src/USER-UEF/dump_cfg_uef.cpp index 4b0c08275a..f5f78297c2 100644 --- a/src/USER-UEF/dump_cfg_uef.cpp +++ b/src/USER-UEF/dump_cfg_uef.cpp @@ -14,9 +14,9 @@ ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_cfg.h" #include "atom.h" #include "domain.h" diff --git a/src/USER-UEF/fix_nh_uef.cpp b/src/USER-UEF/fix_nh_uef.cpp index 36494b0d49..cd0b2ba268 100644 --- a/src/USER-UEF/fix_nh_uef.cpp +++ b/src/USER-UEF/fix_nh_uef.cpp @@ -13,9 +13,9 @@ Contributing author: David Nicholson (MIT) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nh_uef.h" #include "atom.h" #include "force.h" diff --git a/src/USER-UEF/uef_utils.cpp b/src/USER-UEF/uef_utils.cpp index f270fe1d8b..a5498d605f 100644 --- a/src/USER-UEF/uef_utils.cpp +++ b/src/USER-UEF/uef_utils.cpp @@ -22,7 +22,7 @@ http://link.springer.com/chapter/10.1007%2F3-540-44670-2_13 */ -#include +#include #include "uef_utils.h" namespace LAMMPS_NS { diff --git a/src/USER-VTK/dump_vtk.cpp b/src/USER-VTK/dump_vtk.cpp index 78be5668cf..adad070f51 100644 --- a/src/USER-VTK/dump_vtk.cpp +++ b/src/USER-VTK/dump_vtk.cpp @@ -22,9 +22,9 @@ Richard Berger (JKU) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_vtk.h" #include "atom.h" #include "force.h" diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp index d55db85ef8..ea6158bfa2 100644 --- a/src/VORONOI/compute_voronoi_atom.cpp +++ b/src/VORONOI/compute_voronoi_atom.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_voronoi_atom.h" #include "atom.h" #include "group.h" diff --git a/src/angle.cpp b/src/angle.cpp index 1366c48865..2a297990ac 100644 --- a/src/angle.cpp +++ b/src/angle.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "angle.h" #include "atom.h" #include "comm.h" diff --git a/src/angle.h b/src/angle.h index 000c3fe916..0247fa0ff8 100644 --- a/src/angle.h +++ b/src/angle.h @@ -14,7 +14,7 @@ #ifndef LMP_ANGLE_H #define LMP_ANGLE_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp index 9b3af1856e..c29eaac2ae 100644 --- a/src/angle_hybrid.cpp +++ b/src/angle_hybrid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "angle_hybrid.h" #include "atom.h" #include "neighbor.h" diff --git a/src/angle_hybrid.h b/src/angle_hybrid.h index 4ae34c176f..4fde71e43f 100644 --- a/src/angle_hybrid.h +++ b/src/angle_hybrid.h @@ -20,7 +20,7 @@ AngleStyle(hybrid,AngleHybrid) #ifndef LMP_ANGLE_HYBRID_H #define LMP_ANGLE_HYBRID_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/angle_zero.cpp b/src/angle_zero.cpp index ba84295ca7..e5191c4fb2 100644 --- a/src/angle_zero.cpp +++ b/src/angle_zero.cpp @@ -15,9 +15,9 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "angle_zero.h" #include "atom.h" #include "force.h" diff --git a/src/angle_zero.h b/src/angle_zero.h index e40fc8355c..b91be5c8d7 100644 --- a/src/angle_zero.h +++ b/src/angle_zero.h @@ -20,7 +20,7 @@ AngleStyle(zero,AngleZero) #ifndef LMP_ANGLE_ZERO_H #define LMP_ANGLE_ZERO_H -#include +#include #include "angle.h" namespace LAMMPS_NS { diff --git a/src/atom.cpp b/src/atom.cpp index ae36a8884b..d5773a2fe1 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "atom.h" #include "style_atom.h" #include "atom_vec.h" diff --git a/src/atom_map.cpp b/src/atom_map.cpp index 4b1be77a06..46593432cf 100644 --- a/src/atom_map.cpp +++ b/src/atom_map.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom.h" #include "comm.h" #include "memory.h" diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp index 14091cbb77..b04bfba34c 100644 --- a/src/atom_vec.cpp +++ b/src/atom_vec.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec.h" #include "atom.h" #include "force.h" diff --git a/src/atom_vec.h b/src/atom_vec.h index 5be955a06c..87fb35d9c7 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -14,7 +14,7 @@ #ifndef LMP_ATOM_VEC_H #define LMP_ATOM_VEC_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/atom_vec_atomic.cpp b/src/atom_vec_atomic.cpp index eda1a33152..e1c9a1e524 100644 --- a/src/atom_vec_atomic.cpp +++ b/src/atom_vec_atomic.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_atomic.h" #include "atom.h" #include "comm.h" diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp index b7422cf229..4d3b5643ae 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_body.h" #include "style_body.h" #include "body.h" diff --git a/src/atom_vec_charge.cpp b/src/atom_vec_charge.cpp index a93a29662b..440393385d 100644 --- a/src/atom_vec_charge.cpp +++ b/src/atom_vec_charge.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_charge.h" #include "atom.h" #include "comm.h" diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp index 858b89d62b..c569f89a09 100644 --- a/src/atom_vec_ellipsoid.cpp +++ b/src/atom_vec_ellipsoid.cpp @@ -15,7 +15,7 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include +#include #include "atom_vec_ellipsoid.h" #include "math_extra.h" #include "atom.h" diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp index 40c744afc5..7e1fb01e5d 100644 --- a/src/atom_vec_hybrid.cpp +++ b/src/atom_vec_hybrid.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom_vec_hybrid.h" #include "atom.h" #include "domain.h" diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h index fd8a3e433c..a027923a17 100644 --- a/src/atom_vec_hybrid.h +++ b/src/atom_vec_hybrid.h @@ -20,7 +20,7 @@ AtomStyle(hybrid,AtomVecHybrid) #ifndef LMP_ATOM_VEC_HYBRID_H #define LMP_ATOM_VEC_HYBRID_H -#include +#include #include "atom_vec.h" namespace LAMMPS_NS { diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp index ec278562f9..9babfe3735 100644 --- a/src/atom_vec_line.cpp +++ b/src/atom_vec_line.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_line.h" #include "atom.h" #include "comm.h" diff --git a/src/atom_vec_sphere.cpp b/src/atom_vec_sphere.cpp index a72704b4c6..dec98e5200 100644 --- a/src/atom_vec_sphere.cpp +++ b/src/atom_vec_sphere.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_sphere.h" #include "atom.h" #include "comm.h" diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp index eb87e75b18..2c31b95cfe 100644 --- a/src/atom_vec_tri.cpp +++ b/src/atom_vec_tri.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "atom_vec_tri.h" #include "math_extra.h" #include "atom.h" diff --git a/src/balance.cpp b/src/balance.cpp index 45f185a6fc..9be7b2a7b3 100644 --- a/src/balance.cpp +++ b/src/balance.cpp @@ -19,9 +19,9 @@ //#define BALANCE_DEBUG 1 #include -#include -#include -#include +#include +#include +#include #include "balance.h" #include "atom.h" #include "comm.h" diff --git a/src/balance.h b/src/balance.h index 3e5e0e0d70..420031502a 100644 --- a/src/balance.h +++ b/src/balance.h @@ -20,7 +20,7 @@ CommandStyle(balance,Balance) #ifndef LMP_BALANCE_H #define LMP_BALANCE_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/body.cpp b/src/body.cpp index 144ee13c92..42f4ccbdd3 100644 --- a/src/body.cpp +++ b/src/body.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "body.h" #include "error.h" diff --git a/src/bond.cpp b/src/bond.cpp index 825ff1b199..edcd869425 100644 --- a/src/bond.cpp +++ b/src/bond.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "bond.h" #include "atom.h" #include "comm.h" diff --git a/src/bond.h b/src/bond.h index b34628d757..9c353a1a6d 100644 --- a/src/bond.h +++ b/src/bond.h @@ -14,7 +14,7 @@ #ifndef LMP_BOND_H #define LMP_BOND_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp index 9a16d0e1fd..c3a71ee71c 100644 --- a/src/bond_hybrid.cpp +++ b/src/bond_hybrid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "bond_hybrid.h" #include "atom.h" #include "neighbor.h" diff --git a/src/bond_hybrid.h b/src/bond_hybrid.h index e1d567c886..a385a2e3f8 100644 --- a/src/bond_hybrid.h +++ b/src/bond_hybrid.h @@ -20,7 +20,7 @@ BondStyle(hybrid,BondHybrid) #ifndef LMP_BOND_HYBRID_H #define LMP_BOND_HYBRID_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/bond_zero.cpp b/src/bond_zero.cpp index f38b7754f8..9fd9d4a580 100644 --- a/src/bond_zero.cpp +++ b/src/bond_zero.cpp @@ -15,9 +15,9 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "bond_zero.h" #include "atom.h" #include "force.h" diff --git a/src/bond_zero.h b/src/bond_zero.h index b7b7e99960..9443ff0784 100644 --- a/src/bond_zero.h +++ b/src/bond_zero.h @@ -20,7 +20,7 @@ BondStyle(zero,BondZero) #ifndef LMP_BOND_ZERO_H #define LMP_BOND_ZERO_H -#include +#include #include "bond.h" namespace LAMMPS_NS { diff --git a/src/change_box.cpp b/src/change_box.cpp index c6ec078a01..93dff387c4 100644 --- a/src/change_box.cpp +++ b/src/change_box.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "change_box.h" #include "atom.h" #include "modify.h" diff --git a/src/citeme.h b/src/citeme.h index 18e9a712db..262b284337 100644 --- a/src/citeme.h +++ b/src/citeme.h @@ -15,7 +15,7 @@ #define LMP_CITEME_H #include "pointers.h" -#include +#include #include namespace LAMMPS_NS { diff --git a/src/comm.cpp b/src/comm.cpp index 14d2d70c5a..b53ce251f2 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "comm.h" #include "universe.h" #include "atom.h" diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index 992d988f90..070c93bd3c 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "comm_brick.h" #include "comm_tiled.h" #include "universe.h" diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 23b098a705..12b10be2f7 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "comm_tiled.h" #include "comm_brick.h" #include "atom.h" diff --git a/src/compute.cpp b/src/compute.cpp index 467faf9fe1..207f825ec8 100644 --- a/src/compute.cpp +++ b/src/compute.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute.h" #include "atom.h" #include "domain.h" diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index d61fd06397..56855fcc29 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_aggregate_atom.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_angle.cpp b/src/compute_angle.cpp index 8546350ecd..59945f5832 100644 --- a/src/compute_angle.cpp +++ b/src/compute_angle.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_angle.h" #include "update.h" #include "force.h" diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp index 1e249554dc..7137077158 100644 --- a/src/compute_angle_local.cpp +++ b/src/compute_angle_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_angle_local.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp index 98c6ea0441..a70eaaf49f 100644 --- a/src/compute_angmom_chunk.cpp +++ b/src/compute_angmom_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_angmom_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_bond.cpp b/src/compute_bond.cpp index 29d7ce0ece..896aaec9bd 100644 --- a/src/compute_bond.cpp +++ b/src/compute_bond.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_bond.h" #include "update.h" #include "force.h" diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp index b7e84d0a29..985e3ef075 100644 --- a/src/compute_bond_local.cpp +++ b/src/compute_bond_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_bond_local.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index 089c577980..48af453635 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Michel Perez (U Lyon) for non-fcc lattices ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_centro_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index 6a81b181cf..ddad7eb62f 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -14,8 +14,8 @@ // NOTE: allow for bin center to be variables for sphere/cylinder #include -#include -#include +#include +#include #include "compute_chunk_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index 9a7df03e49..146f8fd1b3 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_cluster_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index bd24e06cae..a1b97d9404 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -15,8 +15,9 @@ Contributing author: Wan Liang (Chinese Academy of Sciences) ------------------------------------------------------------------------- */ -#include -#include +#include +#include +#include #include "compute_cna_atom.h" #include "atom.h" #include "update.h" @@ -29,7 +30,6 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include using namespace LAMMPS_NS; diff --git a/src/compute_com_chunk.cpp b/src/compute_com_chunk.cpp index 3eb686783b..ec66767245 100644 --- a/src/compute_com_chunk.cpp +++ b/src/compute_com_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_com_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_contact_atom.cpp b/src/compute_contact_atom.cpp index b2186bd175..f3c4513b01 100644 --- a/src/compute_contact_atom.cpp +++ b/src/compute_contact_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_contact_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 8c69aa7874..b86d818d06 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_coord_atom.h" #include "compute_orientorder_atom.h" #include "atom.h" diff --git a/src/compute_dihedral.cpp b/src/compute_dihedral.cpp index 2afcb5e321..3595b2eda3 100644 --- a/src/compute_dihedral.cpp +++ b/src/compute_dihedral.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_dihedral.h" #include "update.h" #include "force.h" diff --git a/src/compute_dihedral_local.cpp b/src/compute_dihedral_local.cpp index 7a21d0f9d7..42d1476ad2 100644 --- a/src/compute_dihedral_local.cpp +++ b/src/compute_dihedral_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_dihedral_local.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_dipole_chunk.cpp b/src/compute_dipole_chunk.cpp index b4beacb984..b0474b6359 100644 --- a/src/compute_dipole_chunk.cpp +++ b/src/compute_dipole_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_dipole_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp index a5c32c53cc..0b6b40b62a 100644 --- a/src/compute_displace_atom.cpp +++ b/src/compute_displace_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_displace_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_erotate_sphere_atom.cpp b/src/compute_erotate_sphere_atom.cpp index b29c18c1e3..999bc062c5 100644 --- a/src/compute_erotate_sphere_atom.cpp +++ b/src/compute_erotate_sphere_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_erotate_sphere_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp index 8606f54933..b9fb2331ec 100644 --- a/src/compute_fragment_atom.cpp +++ b/src/compute_fragment_atom.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "compute_fragment_atom.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_global_atom.cpp b/src/compute_global_atom.cpp index 6cd79f919c..dc9ab52f49 100644 --- a/src/compute_global_atom.cpp +++ b/src/compute_global_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_global_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index 51c978cb53..dc94db50f6 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -17,7 +17,8 @@ ------------------------------------------------------------------------- */ #include -#include +#include +#include #include "compute_group_group.h" #include "atom.h" #include "update.h" @@ -29,7 +30,6 @@ #include "group.h" #include "kspace.h" #include "error.h" -#include #include "comm.h" #include "domain.h" #include "math_const.h" diff --git a/src/compute_gyration.cpp b/src/compute_gyration.cpp index 0877efa4d9..f8d19853e0 100644 --- a/src/compute_gyration.cpp +++ b/src/compute_gyration.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_gyration.h" #include "update.h" #include "atom.h" diff --git a/src/compute_gyration_chunk.cpp b/src/compute_gyration_chunk.cpp index efb26c9ad2..6a23398aca 100644 --- a/src/compute_gyration_chunk.cpp +++ b/src/compute_gyration_chunk.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_gyration_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_heat_flux.cpp b/src/compute_heat_flux.cpp index 108691aec2..e402da7842 100644 --- a/src/compute_heat_flux.cpp +++ b/src/compute_heat_flux.cpp @@ -16,8 +16,8 @@ Mario Pinto (Computational Research Lab, Pune, India) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_heat_flux.h" #include "atom.h" #include "update.h" diff --git a/src/compute_hexorder_atom.cpp b/src/compute_hexorder_atom.cpp index 44525e67a2..cb2946beba 100644 --- a/src/compute_hexorder_atom.cpp +++ b/src/compute_hexorder_atom.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_hexorder_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_improper.cpp b/src/compute_improper.cpp index 60d22d0d70..ac2a23e727 100644 --- a/src/compute_improper.cpp +++ b/src/compute_improper.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_improper.h" #include "update.h" #include "force.h" diff --git a/src/compute_improper_local.cpp b/src/compute_improper_local.cpp index e183405956..f54cb67535 100644 --- a/src/compute_improper_local.cpp +++ b/src/compute_improper_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_improper_local.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_inertia_chunk.cpp b/src/compute_inertia_chunk.cpp index 1e3c595ed1..a33073c35a 100644 --- a/src/compute_inertia_chunk.cpp +++ b/src/compute_inertia_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_inertia_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_ke_atom.cpp b/src/compute_ke_atom.cpp index da159669de..c5506996da 100644 --- a/src/compute_ke_atom.cpp +++ b/src/compute_ke_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_ke_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index ac510bca8e..fc47b2609a 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_msd.h" #include "atom.h" #include "update.h" diff --git a/src/compute_msd_chunk.cpp b/src/compute_msd_chunk.cpp index 69cd87f96b..1f974cc06c 100644 --- a/src/compute_msd_chunk.cpp +++ b/src/compute_msd_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_msd_chunk.h" #include "atom.h" #include "group.h" diff --git a/src/compute_omega_chunk.cpp b/src/compute_omega_chunk.cpp index d89c57889e..23447da602 100644 --- a/src/compute_omega_chunk.cpp +++ b/src/compute_omega_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_omega_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp index 4fc9ab060b..f263fdfaed 100644 --- a/src/compute_orientorder_atom.cpp +++ b/src/compute_orientorder_atom.cpp @@ -16,9 +16,9 @@ Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_orientorder_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_pair.cpp b/src/compute_pair.cpp index b00944e1bc..444395bae5 100644 --- a/src/compute_pair.cpp +++ b/src/compute_pair.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_pair.h" #include "update.h" #include "force.h" diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index 1d28ae8b76..3f1147ed27 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "compute_pair_local.h" #include "atom.h" #include "update.h" diff --git a/src/compute_pe.cpp b/src/compute_pe.cpp index 342c1c5cc5..5839ec2095 100644 --- a/src/compute_pe.cpp +++ b/src/compute_pe.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_pe.h" #include "atom.h" #include "update.h" diff --git a/src/compute_pe_atom.cpp b/src/compute_pe_atom.cpp index c324a8eff7..2f1dc5650e 100644 --- a/src/compute_pe_atom.cpp +++ b/src/compute_pe_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_pe_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 99046e864c..dde02a5aed 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_pressure.h" #include "atom.h" #include "update.h" diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp index d158d00816..76df5a053d 100644 --- a/src/compute_property_atom.cpp +++ b/src/compute_property_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_property_atom.h" #include "math_extra.h" #include "atom.h" diff --git a/src/compute_property_chunk.cpp b/src/compute_property_chunk.cpp index c169e20d73..489890e1cc 100644 --- a/src/compute_property_chunk.cpp +++ b/src/compute_property_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_property_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp index e38817b4ea..ad68459650 100644 --- a/src/compute_property_local.cpp +++ b/src/compute_property_local.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_property_local.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index bcb620f3b3..263e7f799b 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "compute_rdf.h" #include "atom.h" #include "update.h" diff --git a/src/compute_rdf.h b/src/compute_rdf.h index af4f56e838..52a93a38dd 100644 --- a/src/compute_rdf.h +++ b/src/compute_rdf.h @@ -20,7 +20,7 @@ ComputeStyle(rdf,ComputeRDF) #ifndef LMP_COMPUTE_RDF_H #define LMP_COMPUTE_RDF_H -#include +#include #include "compute.h" namespace LAMMPS_NS { diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index 91379e9ba6..7c61d666b2 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_reduce.h" #include "atom.h" #include "update.h" diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp index c867a0190c..77cd6371c6 100644 --- a/src/compute_reduce_region.cpp +++ b/src/compute_reduce_region.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_reduce_region.h" #include "atom.h" #include "update.h" diff --git a/src/compute_slice.cpp b/src/compute_slice.cpp index 23bed054ac..ac70e7dd15 100644 --- a/src/compute_slice.cpp +++ b/src/compute_slice.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_slice.h" #include "update.h" #include "modify.h" diff --git a/src/compute_stress_atom.cpp b/src/compute_stress_atom.cpp index fd38f13dba..5211f015ab 100644 --- a/src/compute_stress_atom.cpp +++ b/src/compute_stress_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "compute_stress_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp.cpp b/src/compute_temp.cpp index 1fbab924b8..f7d3a890ec 100644 --- a/src/compute_temp.cpp +++ b/src/compute_temp.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_chunk.cpp b/src/compute_temp_chunk.cpp index 1cc98c4ee8..920515e05c 100644 --- a/src/compute_temp_chunk.cpp +++ b/src/compute_temp_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_temp_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_com.cpp b/src/compute_temp_com.cpp index 6d64ff5aee..35f4512ab2 100644 --- a/src/compute_temp_com.cpp +++ b/src/compute_temp_com.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_temp_com.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_deform.cpp b/src/compute_temp_deform.cpp index c8b8200770..907f709098 100644 --- a/src/compute_temp_deform.cpp +++ b/src/compute_temp_deform.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_deform.h" #include "domain.h" #include "atom.h" diff --git a/src/compute_temp_partial.cpp b/src/compute_temp_partial.cpp index 9df8e8b580..4b87a2249e 100644 --- a/src/compute_temp_partial.cpp +++ b/src/compute_temp_partial.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_partial.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_profile.cpp b/src/compute_temp_profile.cpp index 236f5bc096..c7f0b28a6c 100644 --- a/src/compute_temp_profile.cpp +++ b/src/compute_temp_profile.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_temp_profile.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_ramp.cpp b/src/compute_temp_ramp.cpp index af6a730c9d..42d258d8b2 100644 --- a/src/compute_temp_ramp.cpp +++ b/src/compute_temp_ramp.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "compute_temp_ramp.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_region.cpp b/src/compute_temp_region.cpp index ed710bc730..bde70a20f0 100644 --- a/src/compute_temp_region.cpp +++ b/src/compute_temp_region.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_region.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp index ad5cf565e9..651da6dee5 100644 --- a/src/compute_temp_sphere.cpp +++ b/src/compute_temp_sphere.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "compute_temp_sphere.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_torque_chunk.cpp b/src/compute_torque_chunk.cpp index 25386ad40d..d9de99bcb2 100644 --- a/src/compute_torque_chunk.cpp +++ b/src/compute_torque_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_torque_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/compute_vacf.cpp b/src/compute_vacf.cpp index b3f487a4d7..3ef3acf0bf 100644 --- a/src/compute_vacf.cpp +++ b/src/compute_vacf.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_vacf.h" #include "atom.h" #include "update.h" diff --git a/src/compute_vcm_chunk.cpp b/src/compute_vcm_chunk.cpp index 0661bf4457..a6dd796c63 100644 --- a/src/compute_vcm_chunk.cpp +++ b/src/compute_vcm_chunk.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_vcm_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp index 6caa4157ce..cdd2c5e37f 100644 --- a/src/create_atoms.cpp +++ b/src/create_atoms.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "create_atoms.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index f194587720..8b5ab60f05 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -15,8 +15,8 @@ Contributing authors: Mike Salerno (NRL) added single methods ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "create_bonds.h" #include "atom.h" #include "domain.h" diff --git a/src/create_box.cpp b/src/create_box.cpp index 3a13109981..b5e37b759c 100644 --- a/src/create_box.cpp +++ b/src/create_box.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "create_box.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp index f5324f9558..e26ecad5f3 100644 --- a/src/delete_atoms.cpp +++ b/src/delete_atoms.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "delete_atoms.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/delete_bonds.cpp b/src/delete_bonds.cpp index 97eb1c09a8..fe32bca879 100644 --- a/src/delete_bonds.cpp +++ b/src/delete_bonds.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "delete_bonds.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/dihedral.cpp b/src/dihedral.cpp index f5c1c6c44c..adccf2a490 100644 --- a/src/dihedral.cpp +++ b/src/dihedral.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "dihedral.h" #include "atom.h" #include "comm.h" diff --git a/src/dihedral.h b/src/dihedral.h index d27810c4d6..627104871b 100644 --- a/src/dihedral.h +++ b/src/dihedral.h @@ -14,7 +14,7 @@ #ifndef LMP_DIHEDRAL_H #define LMP_DIHEDRAL_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp index 372a858d02..b9107ac874 100644 --- a/src/dihedral_hybrid.cpp +++ b/src/dihedral_hybrid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dihedral_hybrid.h" #include "atom.h" #include "neighbor.h" diff --git a/src/dihedral_hybrid.h b/src/dihedral_hybrid.h index 6e30d3d693..0839fdfc61 100644 --- a/src/dihedral_hybrid.h +++ b/src/dihedral_hybrid.h @@ -20,7 +20,7 @@ DihedralStyle(hybrid,DihedralHybrid) #ifndef LMP_DIHEDRAL_HYBRID_H #define LMP_DIHEDRAL_HYBRID_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/dihedral_zero.cpp b/src/dihedral_zero.cpp index 9b0c569fca..bdd2eaadd3 100644 --- a/src/dihedral_zero.cpp +++ b/src/dihedral_zero.cpp @@ -15,9 +15,9 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dihedral_zero.h" #include "atom.h" #include "force.h" diff --git a/src/dihedral_zero.h b/src/dihedral_zero.h index d27ff6abba..e7dbb0d3a5 100644 --- a/src/dihedral_zero.h +++ b/src/dihedral_zero.h @@ -24,7 +24,7 @@ DihedralStyle(zero,DihedralZero) #ifndef LMP_DIHEDRAL_ZERO_H #define LMP_DIHEDRAL_ZERO_H -#include +#include #include "dihedral.h" namespace LAMMPS_NS { diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp index 66988d4673..04088bec8c 100644 --- a/src/displace_atoms.cpp +++ b/src/displace_atoms.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "displace_atoms.h" #include "atom.h" #include "modify.h" diff --git a/src/domain.cpp b/src/domain.cpp index c4dcf20b64..eae4f3926d 100644 --- a/src/domain.cpp +++ b/src/domain.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "domain.h" #include "style_region.h" #include "atom.h" @@ -518,7 +518,7 @@ void Domain::pbc() coord = &x[0][0]; // note: x is always initialized to at least one element. int flag = 0; for (i = 0; i < n3; i++) - if (!ISFINITE(*coord++)) flag = 1; + if (!std::isfinite(*coord++)) flag = 1; if (flag) error->one(FLERR,"Non-numeric atom coords - simulation unstable"); // setup for PBC checks diff --git a/src/domain.h b/src/domain.h index 649e722c50..fe2502c691 100644 --- a/src/domain.h +++ b/src/domain.h @@ -14,7 +14,7 @@ #ifndef LMP_DOMAIN_H #define LMP_DOMAIN_H -#include +#include #include "pointers.h" #include #include diff --git a/src/dump.cpp b/src/dump.cpp index be42693b8d..46e556600a 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "dump.h" #include "atom.h" #include "irregular.h" diff --git a/src/dump.h b/src/dump.h index 472f69bfb9..b726b9c3e7 100644 --- a/src/dump.h +++ b/src/dump.h @@ -15,7 +15,7 @@ #define LMP_DUMP_H #include -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/dump_atom.cpp b/src/dump_atom.cpp index 6221463920..74583f4013 100644 --- a/src/dump_atom.cpp +++ b/src/dump_atom.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "dump_atom.h" #include "domain.h" #include "atom.h" diff --git a/src/dump_cfg.cpp b/src/dump_cfg.cpp index 6ebdd0f99a..15f6468846 100644 --- a/src/dump_cfg.cpp +++ b/src/dump_cfg.cpp @@ -16,9 +16,9 @@ Memory efficiency improved by Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_cfg.h" #include "atom.h" #include "domain.h" diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 34ab218204..174fcd73c8 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_custom.h" #include "atom.h" #include "force.h" diff --git a/src/dump_dcd.cpp b/src/dump_dcd.cpp index ca7246ab24..acff605fb5 100644 --- a/src/dump_dcd.cpp +++ b/src/dump_dcd.cpp @@ -16,11 +16,11 @@ Axel Kohlmeyer (Temple U), support for groups ------------------------------------------------------------------------- */ -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include #include "dump_dcd.h" #include "domain.h" #include "atom.h" diff --git a/src/dump_image.cpp b/src/dump_image.cpp index 9ca6ad34e9..60a1f545c9 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "dump_image.h" #include "image.h" #include "atom.h" diff --git a/src/dump_local.cpp b/src/dump_local.cpp index ca8b1822a2..0d5172b5c1 100644 --- a/src/dump_local.cpp +++ b/src/dump_local.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "dump_local.h" #include "atom.h" #include "modify.h" diff --git a/src/dump_movie.cpp b/src/dump_movie.cpp index cb8982cabe..59dfdc3d6e 100644 --- a/src/dump_movie.cpp +++ b/src/dump_movie.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "dump_movie.h" #include "comm.h" #include "force.h" diff --git a/src/dump_xyz.cpp b/src/dump_xyz.cpp index 7059e85590..fd52671d81 100644 --- a/src/dump_xyz.cpp +++ b/src/dump_xyz.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "dump_xyz.h" #include "atom.h" #include "group.h" diff --git a/src/error.cpp b/src/error.cpp index 9193314fc8..3c8d8bb34c 100644 --- a/src/error.cpp +++ b/src/error.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "error.h" #include "universe.h" #include "output.h" diff --git a/src/finish.cpp b/src/finish.cpp index c22b26782e..f35fb7e3a5 100644 --- a/src/finish.cpp +++ b/src/finish.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "finish.h" #include "timer.h" #include "universe.h" diff --git a/src/fix.cpp b/src/fix.cpp index 297d184967..a54e295798 100644 --- a/src/fix.cpp +++ b/src/fix.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix.h" #include "atom.h" #include "group.h" diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index 10b09f4a7f..754c9ea4da 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_adapt.h" #include "atom.h" #include "bond.h" diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp index 6b1e892279..c2eedccd61 100644 --- a/src/fix_addforce.cpp +++ b/src/fix_addforce.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_addforce.h" #include "atom.h" #include "atom_masks.h" diff --git a/src/fix_ave_atom.cpp b/src/fix_ave_atom.cpp index c4222f6fcd..a8c3be07af 100644 --- a/src/fix_ave_atom.cpp +++ b/src/fix_ave_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_ave_atom.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_ave_atom.h b/src/fix_ave_atom.h index c2f5067309..e4baf6bda1 100644 --- a/src/fix_ave_atom.h +++ b/src/fix_ave_atom.h @@ -20,7 +20,7 @@ FixStyle(ave/atom,FixAveAtom) #ifndef LMP_FIX_AVE_ATOM_H #define LMP_FIX_AVE_ATOM_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp index 8558e8695c..5f727fd3f7 100644 --- a/src/fix_ave_chunk.cpp +++ b/src/fix_ave_chunk.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include #include "fix_ave_chunk.h" #include "atom.h" diff --git a/src/fix_ave_chunk.h b/src/fix_ave_chunk.h index a69b07f5d0..4dc1c1c246 100644 --- a/src/fix_ave_chunk.h +++ b/src/fix_ave_chunk.h @@ -20,7 +20,7 @@ FixStyle(ave/chunk,FixAveChunk) #ifndef LMP_FIX_AVE_CHUNK_H #define LMP_FIX_AVE_CHUNK_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp index fffcc09d7a..418464a248 100644 --- a/src/fix_ave_correlate.cpp +++ b/src/fix_ave_correlate.cpp @@ -17,8 +17,8 @@ Reese Jones (Sandia) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include #include "fix_ave_correlate.h" #include "update.h" diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h index 6d2567e730..ff20e8ba94 100644 --- a/src/fix_ave_correlate.h +++ b/src/fix_ave_correlate.h @@ -20,7 +20,7 @@ FixStyle(ave/correlate,FixAveCorrelate) #ifndef LMP_FIX_AVE_CORRELATE_H #define LMP_FIX_AVE_CORRELATE_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp index e104512479..7aa5993899 100644 --- a/src/fix_ave_histo.cpp +++ b/src/fix_ave_histo.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include #include "fix_ave_histo.h" #include "atom.h" diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index 123122b051..3616959c61 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -20,7 +20,7 @@ FixStyle(ave/histo,FixAveHisto) #ifndef LMP_FIX_AVE_HISTO_H #define LMP_FIX_AVE_HISTO_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_ave_histo_weight.cpp b/src/fix_ave_histo_weight.cpp index 37dd8c9898..c78f4fa1e3 100644 --- a/src/fix_ave_histo_weight.cpp +++ b/src/fix_ave_histo_weight.cpp @@ -15,8 +15,8 @@ Contributing author: Shawn Coleman (ARL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include #include "fix_ave_histo_weight.h" #include "atom.h" diff --git a/src/fix_ave_histo_weight.h b/src/fix_ave_histo_weight.h index 22812384de..e5638e1215 100644 --- a/src/fix_ave_histo_weight.h +++ b/src/fix_ave_histo_weight.h @@ -20,7 +20,7 @@ FixStyle(ave/histo/weight,FixAveHistoWeight) #ifndef LMP_FIX_AVE_HISTO_WEIGHT_H #define LMP_FIX_AVE_HISTO_WEIGHT_H -#include +#include #include "fix_ave_histo.h" namespace LAMMPS_NS { diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp index 5de32c7fae..c3ace29684 100644 --- a/src/fix_ave_time.cpp +++ b/src/fix_ave_time.cpp @@ -15,8 +15,8 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include #include "fix_ave_time.h" #include "update.h" diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index aa1d2333cf..62dfbad296 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -20,7 +20,7 @@ FixStyle(ave/time,FixAveTime) #ifndef LMP_FIX_AVE_TIME_H #define LMP_FIX_AVE_TIME_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_aveforce.cpp b/src/fix_aveforce.cpp index 793c2d5c2b..4432a5dd36 100644 --- a/src/fix_aveforce.cpp +++ b/src/fix_aveforce.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "fix_aveforce.h" #include "atom.h" #include "update.h" diff --git a/src/fix_balance.cpp b/src/fix_balance.cpp index 9f29400d9a..29ea536066 100644 --- a/src/fix_balance.cpp +++ b/src/fix_balance.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_balance.h" #include "balance.h" #include "update.h" diff --git a/src/fix_balance.h b/src/fix_balance.h index 8b8759ec97..64383b5950 100644 --- a/src/fix_balance.h +++ b/src/fix_balance.h @@ -20,7 +20,7 @@ FixStyle(balance,FixBalance) #ifndef LMP_FIX_BALANCE_H #define LMP_FIX_BALANCE_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp index 21bc09b259..a315330d14 100644 --- a/src/fix_box_relax.cpp +++ b/src/fix_box_relax.cpp @@ -15,9 +15,9 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_box_relax.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_controller.cpp b/src/fix_controller.cpp index e283b1c192..eb7a794962 100644 --- a/src/fix_controller.cpp +++ b/src/fix_controller.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_controller.h" #include "force.h" #include "update.h" diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 705f1970af..65e1bee63b 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -15,9 +15,9 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_deform.h" #include "atom.h" #include "update.h" diff --git a/src/fix_deprecated.cpp b/src/fix_deprecated.cpp index 9c0b6686d1..d0a63b0096 100644 --- a/src/fix_deprecated.cpp +++ b/src/fix_deprecated.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_deprecated.h" #include "comm.h" #include "error.h" diff --git a/src/fix_drag.cpp b/src/fix_drag.cpp index 3fda219126..6a69dddbf5 100644 --- a/src/fix_drag.cpp +++ b/src/fix_drag.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_drag.h" #include "atom.h" #include "update.h" diff --git a/src/fix_dt_reset.cpp b/src/fix_dt_reset.cpp index 48d09150a5..006bf27e77 100644 --- a/src/fix_dt_reset.cpp +++ b/src/fix_dt_reset.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_dt_reset.h" #include "atom.h" #include "update.h" diff --git a/src/fix_enforce2d.cpp b/src/fix_enforce2d.cpp index 336fd12556..4ffd2ca7ac 100644 --- a/src/fix_enforce2d.cpp +++ b/src/fix_enforce2d.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_enforce2d.h" #include "atom.h" #include "update.h" diff --git a/src/fix_external.cpp b/src/fix_external.cpp index a3b697bb2b..4fcc842f89 100644 --- a/src/fix_external.cpp +++ b/src/fix_external.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_external.h" #include "atom.h" #include "update.h" diff --git a/src/fix_gravity.cpp b/src/fix_gravity.cpp index 5582357c07..9ace9d45ff 100644 --- a/src/fix_gravity.cpp +++ b/src/fix_gravity.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_gravity.h" #include "atom.h" #include "update.h" diff --git a/src/fix_group.cpp b/src/fix_group.cpp index 8479565891..d316f52425 100644 --- a/src/fix_group.cpp +++ b/src/fix_group.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_group.h" #include "group.h" #include "update.h" diff --git a/src/fix_halt.cpp b/src/fix_halt.cpp index 48d0f5da25..7de09a0fa4 100644 --- a/src/fix_halt.cpp +++ b/src/fix_halt.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_halt.h" #include "update.h" #include "force.h" diff --git a/src/fix_halt.h b/src/fix_halt.h index 73c8d0115a..d3b39cc1e2 100644 --- a/src/fix_halt.h +++ b/src/fix_halt.h @@ -20,7 +20,7 @@ FixStyle(halt,FixHalt) #ifndef LMP_FIX_HALT_H #define LMP_FIX_HALT_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_heat.cpp b/src/fix_heat.cpp index 846531dbb9..f34845785c 100644 --- a/src/fix_heat.cpp +++ b/src/fix_heat.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_heat.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp index 331d84ff9a..ade8cee532 100644 --- a/src/fix_indent.cpp +++ b/src/fix_indent.cpp @@ -15,9 +15,9 @@ Contributing author: Ravi Agrawal (Northwestern U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_indent.h" #include "atom.h" #include "input.h" diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index 2299353001..e4c36cc739 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_langevin.h" #include "math_extra.h" #include "atom.h" diff --git a/src/fix_lineforce.cpp b/src/fix_lineforce.cpp index 1e78bf3ec3..e90152c4e1 100644 --- a/src/fix_lineforce.cpp +++ b/src/fix_lineforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_lineforce.h" #include "atom.h" #include "update.h" diff --git a/src/fix_minimize.cpp b/src/fix_minimize.cpp index cc00cc286a..06a3ac900d 100644 --- a/src/fix_minimize.cpp +++ b/src/fix_minimize.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_minimize.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_momentum.cpp b/src/fix_momentum.cpp index 63ec71f10d..680251e670 100644 --- a/src/fix_momentum.cpp +++ b/src/fix_momentum.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_momentum.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_move.cpp b/src/fix_move.cpp index a32c80c1e9..9eadfa5ab4 100644 --- a/src/fix_move.cpp +++ b/src/fix_move.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_move.h" #include "atom.h" #include "group.h" diff --git a/src/fix_move.h b/src/fix_move.h index 13c9bc66b8..5993d7d6e8 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -20,7 +20,7 @@ FixStyle(move,FixMove) #ifndef LMP_FIX_MOVE_H #define LMP_FIX_MOVE_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp index e8bfe840d8..3329b604ef 100644 --- a/src/fix_neigh_history.cpp +++ b/src/fix_neigh_history.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "fix_neigh_history.h" #include "atom.h" #include "comm.h" diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index e4500b19ca..186376d952 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -15,9 +15,9 @@ Contributing authors: Mark Stevens (SNL), Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nh.h" #include "math_extra.h" #include "atom.h" @@ -1034,7 +1034,7 @@ void FixNH::couple() p_current[2] = tensor[2]; } - if (!ISFINITE(p_current[0]) || !ISFINITE(p_current[1]) || !ISFINITE(p_current[2])) + if (!std::isfinite(p_current[0]) || !std::isfinite(p_current[1]) || !std::isfinite(p_current[2])) error->all(FLERR,"Non-numeric pressure - simulation unstable"); // switch order from xy-xz-yz to Voigt @@ -1044,7 +1044,7 @@ void FixNH::couple() p_current[4] = tensor[4]; p_current[5] = tensor[3]; - if (!ISFINITE(p_current[3]) || !ISFINITE(p_current[4]) || !ISFINITE(p_current[5])) + if (!std::isfinite(p_current[3]) || !std::isfinite(p_current[4]) || !std::isfinite(p_current[5])) error->all(FLERR,"Non-numeric pressure - simulation unstable"); } } diff --git a/src/fix_nh_sphere.cpp b/src/fix_nh_sphere.cpp index cc59e4a101..f176493242 100644 --- a/src/fix_nh_sphere.cpp +++ b/src/fix_nh_sphere.cpp @@ -15,7 +15,7 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include +#include #include "fix_nh_sphere.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/fix_nph.cpp b/src/fix_nph.cpp index a331a07d24..40265ef57c 100644 --- a/src/fix_nph.cpp +++ b/src/fix_nph.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph.h" #include "modify.h" #include "error.h" diff --git a/src/fix_nph_sphere.cpp b/src/fix_nph_sphere.cpp index 852234074f..3fcbe5e9c6 100644 --- a/src/fix_nph_sphere.cpp +++ b/src/fix_nph_sphere.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nph_sphere.h" #include "modify.h" #include "error.h" diff --git a/src/fix_npt.cpp b/src/fix_npt.cpp index e14200f6a2..d17577d68d 100644 --- a/src/fix_npt.cpp +++ b/src/fix_npt.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt.h" #include "modify.h" #include "error.h" diff --git a/src/fix_npt_sphere.cpp b/src/fix_npt_sphere.cpp index d3773e0d17..50ac990daf 100644 --- a/src/fix_npt_sphere.cpp +++ b/src/fix_npt_sphere.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_npt_sphere.h" #include "modify.h" #include "error.h" diff --git a/src/fix_nve.cpp b/src/fix_nve.cpp index 64ec3373f1..58e33b9744 100644 --- a/src/fix_nve.cpp +++ b/src/fix_nve.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nve.h" #include "atom.h" #include "force.h" diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp index 6f85d107f1..f659597af7 100644 --- a/src/fix_nve_limit.cpp +++ b/src/fix_nve_limit.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "fix_nve_limit.h" #include "atom.h" #include "force.h" diff --git a/src/fix_nve_noforce.cpp b/src/fix_nve_noforce.cpp index aa24c26e03..3403f4f5ec 100644 --- a/src/fix_nve_noforce.cpp +++ b/src/fix_nve_noforce.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nve_noforce.h" #include "atom.h" #include "update.h" diff --git a/src/fix_nve_sphere.cpp b/src/fix_nve_sphere.cpp index daf89871ab..fe37324cfb 100644 --- a/src/fix_nve_sphere.cpp +++ b/src/fix_nve_sphere.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_nve_sphere.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_nvt.cpp b/src/fix_nvt.cpp index 35ee085da1..7247612dd4 100644 --- a/src/fix_nvt.cpp +++ b/src/fix_nvt.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt.h" #include "group.h" #include "modify.h" diff --git a/src/fix_nvt_sllod.cpp b/src/fix_nvt_sllod.cpp index 87e86f2351..270d721a00 100644 --- a/src/fix_nvt_sllod.cpp +++ b/src/fix_nvt_sllod.cpp @@ -15,8 +15,8 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_nvt_sllod.h" #include "math_extra.h" #include "atom.h" diff --git a/src/fix_nvt_sphere.cpp b/src/fix_nvt_sphere.cpp index b65b3adfae..44046699ba 100644 --- a/src/fix_nvt_sphere.cpp +++ b/src/fix_nvt_sphere.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_nvt_sphere.h" #include "group.h" #include "modify.h" diff --git a/src/fix_planeforce.cpp b/src/fix_planeforce.cpp index 5e999c888c..f90be6a233 100644 --- a/src/fix_planeforce.cpp +++ b/src/fix_planeforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_planeforce.h" #include "atom.h" #include "update.h" diff --git a/src/fix_press_berendsen.cpp b/src/fix_press_berendsen.cpp index 04e2b3d39c..792154e93f 100644 --- a/src/fix_press_berendsen.cpp +++ b/src/fix_press_berendsen.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_press_berendsen.h" #include "atom.h" #include "force.h" diff --git a/src/fix_print.cpp b/src/fix_print.cpp index b553a94e3a..16218e0088 100644 --- a/src/fix_print.cpp +++ b/src/fix_print.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_print.h" #include "update.h" #include "input.h" diff --git a/src/fix_print.h b/src/fix_print.h index c3897b815f..1f6efdf108 100644 --- a/src/fix_print.h +++ b/src/fix_print.h @@ -20,7 +20,7 @@ FixStyle(print,FixPrint) #ifndef LMP_FIX_PRINT_H #define LMP_FIX_PRINT_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index 9ef939c58d..5ad4dfa4ba 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_property_atom.h" #include "atom.h" #include "comm.h" diff --git a/src/fix_read_restart.cpp b/src/fix_read_restart.cpp index f174e8160d..b384234b99 100644 --- a/src/fix_read_restart.cpp +++ b/src/fix_read_restart.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_read_restart.h" #include "atom.h" #include "memory.h" diff --git a/src/fix_recenter.cpp b/src/fix_recenter.cpp index 499e1a4158..49e370ac80 100644 --- a/src/fix_recenter.cpp +++ b/src/fix_recenter.cpp @@ -15,8 +15,8 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_recenter.h" #include "atom.h" #include "group.h" diff --git a/src/fix_respa.cpp b/src/fix_respa.cpp index 0b6febd7b8..3b9aad1286 100644 --- a/src/fix_respa.cpp +++ b/src/fix_respa.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_respa.h" #include "atom.h" #include "force.h" diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp index af11136d78..2f75902d2c 100644 --- a/src/fix_restrain.cpp +++ b/src/fix_restrain.cpp @@ -16,9 +16,9 @@ support for bond and angle restraints by Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_restrain.h" #include "atom.h" #include "force.h" diff --git a/src/fix_setforce.cpp b/src/fix_setforce.cpp index 99176bb379..89b340b0ae 100644 --- a/src/fix_setforce.cpp +++ b/src/fix_setforce.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_setforce.h" #include "atom.h" #include "update.h" diff --git a/src/fix_spring.cpp b/src/fix_spring.cpp index 9c6bd4084f..ecb84eeb0f 100644 --- a/src/fix_spring.cpp +++ b/src/fix_spring.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_spring.h" #include "atom.h" #include "update.h" diff --git a/src/fix_spring_chunk.cpp b/src/fix_spring_chunk.cpp index 773e032388..53e9285a9c 100644 --- a/src/fix_spring_chunk.cpp +++ b/src/fix_spring_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_spring_chunk.h" #include "atom.h" #include "update.h" diff --git a/src/fix_spring_rg.cpp b/src/fix_spring_rg.cpp index b7fd33ce77..c2e226a343 100644 --- a/src/fix_spring_rg.cpp +++ b/src/fix_spring_rg.cpp @@ -16,9 +16,9 @@ Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_spring_rg.h" #include "atom.h" #include "update.h" diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp index b6d5e3c834..1a5c89c6a1 100644 --- a/src/fix_spring_self.cpp +++ b/src/fix_spring_self.cpp @@ -15,8 +15,8 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins University) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_spring_self.h" #include "atom.h" #include "update.h" diff --git a/src/fix_store.cpp b/src/fix_store.cpp index 3738629820..3b1f3dca77 100644 --- a/src/fix_store.cpp +++ b/src/fix_store.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_store.h" #include "atom.h" #include "comm.h" diff --git a/src/fix_store.h b/src/fix_store.h index 1aad563232..5524770a97 100644 --- a/src/fix_store.h +++ b/src/fix_store.h @@ -20,7 +20,7 @@ FixStyle(STORE,FixStore) #ifndef LMP_FIX_STORE_H #define LMP_FIX_STORE_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_store_force.cpp b/src/fix_store_force.cpp index cfeace5326..5e2150f68d 100644 --- a/src/fix_store_force.cpp +++ b/src/fix_store_force.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_store_force.h" #include "atom.h" #include "update.h" diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index 2f2ba3feff..3195e983e3 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_store_state.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_temp_berendsen.cpp b/src/fix_temp_berendsen.cpp index 7b312cfb5f..55518015c4 100644 --- a/src/fix_temp_berendsen.cpp +++ b/src/fix_temp_berendsen.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_temp_berendsen.h" #include "atom.h" #include "force.h" diff --git a/src/fix_temp_csld.cpp b/src/fix_temp_csld.cpp index 63f27cdecb..7bdf776355 100644 --- a/src/fix_temp_csld.cpp +++ b/src/fix_temp_csld.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_temp_csld.h" #include "atom.h" #include "force.h" diff --git a/src/fix_temp_csvr.cpp b/src/fix_temp_csvr.cpp index ae5868ff0f..495a155113 100644 --- a/src/fix_temp_csvr.cpp +++ b/src/fix_temp_csvr.cpp @@ -16,9 +16,9 @@ Based on code by Paolo Raiteri (Curtin U) and Giovanni Bussi (SISSA) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_temp_csvr.h" #include "atom.h" #include "force.h" diff --git a/src/fix_temp_rescale.cpp b/src/fix_temp_rescale.cpp index 52e2da7b3d..11dfa6a5fc 100644 --- a/src/fix_temp_rescale.cpp +++ b/src/fix_temp_rescale.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_temp_rescale.h" #include "atom.h" #include "force.h" diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp index f5ed970da7..39d4173a63 100644 --- a/src/fix_tmd.cpp +++ b/src/fix_tmd.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "fix_tmd.h" #include "atom.h" #include "update.h" diff --git a/src/fix_tmd.h b/src/fix_tmd.h index 337b037c2d..b6db41dd5a 100644 --- a/src/fix_tmd.h +++ b/src/fix_tmd.h @@ -20,7 +20,7 @@ FixStyle(tmd,FixTMD) #ifndef LMP_FIX_TMD_H #define LMP_FIX_TMD_H -#include +#include #include "fix.h" namespace LAMMPS_NS { diff --git a/src/fix_vector.cpp b/src/fix_vector.cpp index 4847926aaf..9b7f016970 100644 --- a/src/fix_vector.cpp +++ b/src/fix_vector.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_vector.h" #include "update.h" #include "force.h" diff --git a/src/fix_viscous.cpp b/src/fix_viscous.cpp index 423bccc383..1d2609c8b6 100644 --- a/src/fix_viscous.cpp +++ b/src/fix_viscous.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_viscous.h" #include "atom.h" #include "update.h" diff --git a/src/fix_wall.cpp b/src/fix_wall.cpp index 2c3aa4afa0..096bbe618a 100644 --- a/src/fix_wall.cpp +++ b/src/fix_wall.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_wall.h" #include "atom.h" #include "input.h" diff --git a/src/fix_wall_harmonic.cpp b/src/fix_wall_harmonic.cpp index 20d5dbebd4..4dc067178a 100644 --- a/src/fix_wall_harmonic.cpp +++ b/src/fix_wall_harmonic.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_wall_harmonic.h" #include "atom.h" #include "error.h" diff --git a/src/fix_wall_lj1043.cpp b/src/fix_wall_lj1043.cpp index 35bfff1749..a93f4dd699 100644 --- a/src/fix_wall_lj1043.cpp +++ b/src/fix_wall_lj1043.cpp @@ -15,7 +15,7 @@ Contributing author: Jonathan Lee (Sandia) ------------------------------------------------------------------------- */ -#include +#include #include "fix_wall_lj1043.h" #include "atom.h" #include "math_const.h" diff --git a/src/fix_wall_lj126.cpp b/src/fix_wall_lj126.cpp index f556952ab3..369ef78c97 100644 --- a/src/fix_wall_lj126.cpp +++ b/src/fix_wall_lj126.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_wall_lj126.h" #include "atom.h" #include "error.h" diff --git a/src/fix_wall_lj93.cpp b/src/fix_wall_lj93.cpp index f5d6a7e147..ce5a06c81b 100644 --- a/src/fix_wall_lj93.cpp +++ b/src/fix_wall_lj93.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "fix_wall_lj93.h" #include "atom.h" #include "error.h" diff --git a/src/fix_wall_reflect.cpp b/src/fix_wall_reflect.cpp index 86607dbe8e..8acba72035 100644 --- a/src/fix_wall_reflect.cpp +++ b/src/fix_wall_reflect.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "fix_wall_reflect.h" #include "atom.h" #include "comm.h" diff --git a/src/fix_wall_region.cpp b/src/fix_wall_region.cpp index 67b0bcd713..ea1b62bfa5 100644 --- a/src/fix_wall_region.cpp +++ b/src/fix_wall_region.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "fix_wall_region.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/force.cpp b/src/force.cpp index df32930e0a..8ee301982d 100644 --- a/src/force.cpp +++ b/src/force.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "force.h" #include "style_bond.h" #include "style_angle.h" diff --git a/src/force.h b/src/force.h index 76cd69ed76..ce593fa518 100644 --- a/src/force.h +++ b/src/force.h @@ -15,7 +15,7 @@ #define LMP_FORCE_H #include "pointers.h" -#include +#include #include #include diff --git a/src/group.cpp b/src/group.cpp index 72224dcf25..9d33da9acb 100644 --- a/src/group.cpp +++ b/src/group.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "group.h" #include "domain.h" #include "atom.h" diff --git a/src/group.h b/src/group.h index 8f07fa19d0..6b6cbb1def 100644 --- a/src/group.h +++ b/src/group.h @@ -14,7 +14,7 @@ #ifndef LMP_GROUP_H #define LMP_GROUP_H -#include +#include #include "pointers.h" #include diff --git a/src/image.cpp b/src/image.cpp index 033bcfb669..599ac4a091 100644 --- a/src/image.cpp +++ b/src/image.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "image.h" #include "math_extra.h" #include "random_mars.h" @@ -35,7 +35,7 @@ #ifdef LAMMPS_PNG #include #include -#include +#include #include "version.h" #endif diff --git a/src/image.h b/src/image.h index 58050ada32..5672bf85c5 100644 --- a/src/image.h +++ b/src/image.h @@ -14,8 +14,8 @@ #ifndef LMP_IMAGE_H #define LMP_IMAGE_H -#include -#include +#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/imbalance.h b/src/imbalance.h index ce7b700b9d..d3c3b9a642 100644 --- a/src/imbalance.h +++ b/src/imbalance.h @@ -14,7 +14,7 @@ #ifndef LMP_IMBALANCE_H #define LMP_IMBALANCE_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/imbalance_store.cpp b/src/imbalance_store.cpp index 2903f8497e..6b69caf785 100644 --- a/src/imbalance_store.cpp +++ b/src/imbalance_store.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "imbalance_store.h" #include "atom.h" #include "input.h" diff --git a/src/imbalance_var.cpp b/src/imbalance_var.cpp index 394a9af365..acb3da8d13 100644 --- a/src/imbalance_var.cpp +++ b/src/imbalance_var.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "imbalance_var.h" #include "atom.h" #include "group.h" diff --git a/src/improper.cpp b/src/improper.cpp index 089fc43aad..17e2df4e59 100644 --- a/src/improper.cpp +++ b/src/improper.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "improper.h" #include "atom.h" #include "comm.h" diff --git a/src/improper.h b/src/improper.h index df3c966cdc..adcf6d29c8 100644 --- a/src/improper.h +++ b/src/improper.h @@ -14,7 +14,7 @@ #ifndef LMP_IMPROPER_H #define LMP_IMPROPER_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/improper_hybrid.cpp b/src/improper_hybrid.cpp index abaaae02da..3c17e42eaf 100644 --- a/src/improper_hybrid.cpp +++ b/src/improper_hybrid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "improper_hybrid.h" #include "atom.h" #include "neighbor.h" diff --git a/src/improper_hybrid.h b/src/improper_hybrid.h index dbba347cf9..89595ccfc4 100644 --- a/src/improper_hybrid.h +++ b/src/improper_hybrid.h @@ -20,7 +20,7 @@ ImproperStyle(hybrid,ImproperHybrid) #ifndef LMP_IMPROPER_HYBRID_H #define LMP_IMPROPER_HYBRID_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/improper_zero.cpp b/src/improper_zero.cpp index 556e427ff8..25ab3e7bba 100644 --- a/src/improper_zero.cpp +++ b/src/improper_zero.cpp @@ -15,9 +15,9 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "improper_zero.h" #include "atom.h" #include "force.h" diff --git a/src/improper_zero.h b/src/improper_zero.h index 0e16411fef..0a2290b6f7 100644 --- a/src/improper_zero.h +++ b/src/improper_zero.h @@ -20,7 +20,7 @@ ImproperStyle(zero,ImproperZero) #ifndef LMP_IMPROPER_ZERO_H #define LMP_IMPROPER_ZERO_H -#include +#include #include "improper.h" namespace LAMMPS_NS { diff --git a/src/info.cpp b/src/info.cpp index e1103c0530..be832cc6f7 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -16,7 +16,7 @@ Richard Berger (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "info.h" #include "accelerator_kokkos.h" #include "atom.h" @@ -43,7 +43,7 @@ #include "update.h" #include "error.h" -#include +#include #include #include #include @@ -51,7 +51,7 @@ #ifdef _WIN32 #define PSAPI_VERSION 1 #include -#include +#include #include #else #include diff --git a/src/input.cpp b/src/input.cpp index a0691f78a4..b83a3683e4 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include -#include +#include #include #include #include "input.h" diff --git a/src/input.h b/src/input.h index 55d93e6303..80b3e8c7da 100644 --- a/src/input.h +++ b/src/input.h @@ -14,7 +14,7 @@ #ifndef LMP_INPUT_H #define LMP_INPUT_H -#include +#include #include "pointers.h" #include #include diff --git a/src/integrate.cpp b/src/integrate.cpp index 4aeb6e18c9..97d28d6d7c 100644 --- a/src/integrate.cpp +++ b/src/integrate.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "integrate.h" #include "update.h" #include "force.h" diff --git a/src/irregular.cpp b/src/irregular.cpp index 6cd1b22c2f..451ce7af66 100644 --- a/src/irregular.cpp +++ b/src/irregular.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "irregular.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/kspace.cpp b/src/kspace.cpp index b2db585f12..fc8b12288b 100644 --- a/src/kspace.cpp +++ b/src/kspace.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "kspace.h" #include "atom.h" #include "comm.h" diff --git a/src/lammps.cpp b/src/lammps.cpp index dd91ea7c19..56af95767b 100644 --- a/src/lammps.cpp +++ b/src/lammps.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "lammps.h" #include "style_angle.h" #include "style_atom.h" diff --git a/src/lammps.h b/src/lammps.h index 26714ab072..1323dcccc8 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -14,7 +14,7 @@ #ifndef LMP_LAMMPS_H #define LMP_LAMMPS_H -#include +#include namespace LAMMPS_NS { diff --git a/src/lattice.cpp b/src/lattice.cpp index 5f6d05db89..ee2fea2a75 100644 --- a/src/lattice.cpp +++ b/src/lattice.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "lattice.h" #include "update.h" #include "domain.h" diff --git a/src/library.cpp b/src/library.cpp index 07c4cae9c1..032b28d178 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -15,8 +15,8 @@ // customize by adding new LAMMPS-specific functions #include -#include -#include +#include +#include #include "library.h" #include "lmptype.h" #include "lammps.h" diff --git a/src/lmptype.h b/src/lmptype.h index 253f9a7470..76573faa5c 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -36,9 +36,9 @@ #define __STDC_FORMAT_MACROS #endif -#include -#include -#include +#include +#include +#include // grrr - IBM Power6 does not provide this def in their system header files @@ -200,8 +200,6 @@ typedef int bigint; #define _noalias #endif -#define ISFINITE(x) isfinite(x) - // settings to enable LAMMPS to build under Windows #ifdef _WIN32 diff --git a/src/lmpwindows.h b/src/lmpwindows.h index d20d0f87ba..ae2a545717 100644 --- a/src/lmpwindows.h +++ b/src/lmpwindows.h @@ -1,9 +1,9 @@ -#include +#include #if !defined(__MINGW32__) #include "erf.h" #endif #include -#include +#include // LAMMPS uses usleep with 100 ms arguments, no microsecond precision needed #if !defined(__MINGW32__) #include "sleep.h" diff --git a/src/main.cpp b/src/main.cpp index 95368385bd..8eb5e4e543 100644 --- a/src/main.cpp +++ b/src/main.cpp @@ -15,8 +15,8 @@ #include "lammps.h" #include "input.h" #include "error.h" -#include -#include +#include +#include #if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE) #include diff --git a/src/math_extra.cpp b/src/math_extra.cpp index d1700a3070..b70986ce91 100644 --- a/src/math_extra.cpp +++ b/src/math_extra.cpp @@ -15,8 +15,8 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "math_extra.h" #define MAXJACOBI 50 diff --git a/src/math_extra.h b/src/math_extra.h index eec9855b80..85f57224cf 100644 --- a/src/math_extra.h +++ b/src/math_extra.h @@ -18,9 +18,9 @@ #ifndef LMP_MATH_EXTRA_H #define LMP_MATH_EXTRA_H -#include -#include -#include +#include +#include +#include #include "error.h" namespace MathExtra { diff --git a/src/math_special.cpp b/src/math_special.cpp index 4b9197f0fc..78b993bb2b 100644 --- a/src/math_special.cpp +++ b/src/math_special.cpp @@ -1,5 +1,5 @@ -#include -#include +#include +#include #include "math_special.h" using namespace LAMMPS_NS; diff --git a/src/math_special.h b/src/math_special.h index 8cd328f5fc..1e7b10d9fd 100644 --- a/src/math_special.h +++ b/src/math_special.h @@ -14,7 +14,7 @@ #ifndef LMP_MATH_SPECIAL_H #define LMP_MATH_SPECIAL_H -#include +#include namespace LAMMPS_NS { diff --git a/src/math_vector.h b/src/math_vector.h index 9304cf0804..c222757272 100644 --- a/src/math_vector.h +++ b/src/math_vector.h @@ -18,8 +18,8 @@ #ifndef LMP_MATH_VECTOR_H #define LMP_MATH_VECTOR_H -#include -#include +#include +#include #define VECTOR_NULL {0, 0, 0} #define SHAPE_NULL {0, 0, 0, 0, 0, 0} diff --git a/src/memory.cpp b/src/memory.cpp index eb5309b8b7..429cf75c00 100644 --- a/src/memory.cpp +++ b/src/memory.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "memory.h" #include "error.h" diff --git a/src/mergesort.h b/src/mergesort.h index 1df6cb4b81..50addd0a72 100644 --- a/src/mergesort.h +++ b/src/mergesort.h @@ -14,7 +14,7 @@ #ifndef LMP_MERGESORT #define LMP_MERGESORT -#include +#include // custom hybrid upward merge sort implementation with support to pass // an opaque pointer to the comparison function, e.g. for access to diff --git a/src/min.cpp b/src/min.cpp index 0caa9a9acf..cd9253f8d3 100644 --- a/src/min.cpp +++ b/src/min.cpp @@ -19,9 +19,9 @@ JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "min.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/min_cg.cpp b/src/min_cg.cpp index eda59bd3d4..20e8cc30dd 100644 --- a/src/min_cg.cpp +++ b/src/min_cg.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "min_cg.h" #include "atom.h" #include "update.h" diff --git a/src/min_fire.cpp b/src/min_fire.cpp index 698b00b7a6..a50071d562 100644 --- a/src/min_fire.cpp +++ b/src/min_fire.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "min_fire.h" #include "universe.h" #include "atom.h" diff --git a/src/min_hftn.cpp b/src/min_hftn.cpp index 84793e33a4..0c834fbeb4 100644 --- a/src/min_hftn.cpp +++ b/src/min_hftn.cpp @@ -17,8 +17,8 @@ "Parallel Unconstrained Min", Plantenga, SAND98-8201 ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "atom.h" #include "fix_minimize.h" #include "min_hftn.h" diff --git a/src/min_linesearch.cpp b/src/min_linesearch.cpp index ddc0c64321..f93a56b09d 100644 --- a/src/min_linesearch.cpp +++ b/src/min_linesearch.cpp @@ -21,7 +21,7 @@ JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg ------------------------------------------------------------------------- */ -#include +#include #include "min_linesearch.h" #include "atom.h" #include "update.h" diff --git a/src/min_quickmin.cpp b/src/min_quickmin.cpp index 491387406d..8b48816355 100644 --- a/src/min_quickmin.cpp +++ b/src/min_quickmin.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "min_quickmin.h" #include "universe.h" #include "atom.h" diff --git a/src/min_sd.cpp b/src/min_sd.cpp index 73a3867d8a..5d44437ca0 100644 --- a/src/min_sd.cpp +++ b/src/min_sd.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include #include "min_sd.h" #include "atom.h" diff --git a/src/minimize.cpp b/src/minimize.cpp index e4e89804bf..e27fffd74b 100644 --- a/src/minimize.cpp +++ b/src/minimize.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "minimize.h" #include "domain.h" #include "update.h" diff --git a/src/modify.cpp b/src/modify.cpp index 64970f2cf9..c5a680a3bd 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "modify.h" #include "style_compute.h" #include "style_fix.h" diff --git a/src/modify.h b/src/modify.h index 1163d44b16..eca4e07859 100644 --- a/src/modify.h +++ b/src/modify.h @@ -14,7 +14,7 @@ #ifndef LMP_MODIFY_H #define LMP_MODIFY_H -#include +#include #include "pointers.h" #include #include diff --git a/src/molecule.cpp b/src/molecule.cpp index 78dc4b82b3..b03142e984 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "molecule.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/my_page.h b/src/my_page.h index 5d95217968..5cd7098d8c 100644 --- a/src/my_page.h +++ b/src/my_page.h @@ -52,7 +52,7 @@ methods: #define LAMMPS_MEMALIGN 64 #endif -#include +#include namespace LAMMPS_NS { template diff --git a/src/my_pool_chunk.h b/src/my_pool_chunk.h index c2f4f190f8..8bf88d35bb 100644 --- a/src/my_pool_chunk.h +++ b/src/my_pool_chunk.h @@ -43,7 +43,7 @@ public variables: #ifndef LAMMPS_MY_POOL_CHUNK_H #define LAMMPS_MY_POOL_CHUNK_H -#include +#include namespace LAMMPS_NS { diff --git a/src/nbin.cpp b/src/nbin.cpp index 6bd1ce322f..a30b76cca0 100644 --- a/src/nbin.cpp +++ b/src/nbin.cpp @@ -117,7 +117,7 @@ int NBin::coord2bin(double *x) { int ix,iy,iz; - if (!ISFINITE(x[0]) || !ISFINITE(x[1]) || !ISFINITE(x[2])) + if (!std::isfinite(x[0]) || !std::isfinite(x[1]) || !std::isfinite(x[2])) error->one(FLERR,"Non-numeric positions - simulation unstable"); if (x[0] >= bboxhi[0]) diff --git a/src/neighbor.cpp b/src/neighbor.cpp index 31dddd9f15..d5cb83b37d 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" diff --git a/src/npair.cpp b/src/npair.cpp index 4d06850e65..24cdc7750a 100644 --- a/src/npair.cpp +++ b/src/npair.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair.h" #include "neighbor.h" #include "neigh_request.h" @@ -208,7 +208,7 @@ int NPair::exclusion(int i, int j, int itype, int jtype, int NPair::coord2bin(double *x, int &ix, int &iy, int &iz) { - if (!ISFINITE(x[0]) || !ISFINITE(x[1]) || !ISFINITE(x[2])) + if (!std::isfinite(x[0]) || !std::isfinite(x[1]) || !std::isfinite(x[2])) error->one(FLERR,"Non-numeric positions - simulation unstable"); if (x[0] >= bboxhi[0]) diff --git a/src/npair_half_size_bin_newtoff.cpp b/src/npair_half_size_bin_newtoff.cpp index 6cd97c71d1..021452028b 100644 --- a/src/npair_half_size_bin_newtoff.cpp +++ b/src/npair_half_size_bin_newtoff.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_bin_newtoff.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_half_size_bin_newton.cpp b/src/npair_half_size_bin_newton.cpp index c0ed038166..760c09570a 100644 --- a/src/npair_half_size_bin_newton.cpp +++ b/src/npair_half_size_bin_newton.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_bin_newton.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_half_size_bin_newton_tri.cpp b/src/npair_half_size_bin_newton_tri.cpp index 044847ba8c..d831982ed6 100644 --- a/src/npair_half_size_bin_newton_tri.cpp +++ b/src/npair_half_size_bin_newton_tri.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_bin_newton_tri.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_half_size_nsq_newtoff.cpp b/src/npair_half_size_nsq_newtoff.cpp index 50a32c87ba..1c2fe5f3d5 100644 --- a/src/npair_half_size_nsq_newtoff.cpp +++ b/src/npair_half_size_nsq_newtoff.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_nsq_newtoff.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_half_size_nsq_newton.cpp b/src/npair_half_size_nsq_newton.cpp index 343172fb98..ce9f8ec186 100644 --- a/src/npair_half_size_nsq_newton.cpp +++ b/src/npair_half_size_nsq_newton.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_half_size_nsq_newton.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_skip_size.cpp b/src/npair_skip_size.cpp index b75856dde4..67717ae576 100644 --- a/src/npair_skip_size.cpp +++ b/src/npair_skip_size.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_skip_size.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_skip_size_off2on.cpp b/src/npair_skip_size_off2on.cpp index 8d728a3c0a..74a80e6d3d 100644 --- a/src/npair_skip_size_off2on.cpp +++ b/src/npair_skip_size_off2on.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_skip_size_off2on.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/npair_skip_size_off2on_oneside.cpp b/src/npair_skip_size_off2on_oneside.cpp index a04fc7782c..a042acd1c6 100644 --- a/src/npair_skip_size_off2on_oneside.cpp +++ b/src/npair_skip_size_off2on_oneside.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "npair_skip_size_off2on_oneside.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/ntopo.cpp b/src/ntopo.cpp index 124fa6687c..8a87a5d6e5 100644 --- a/src/ntopo.cpp +++ b/src/ntopo.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "ntopo.h" #include "atom.h" #include "neighbor.h" diff --git a/src/output.cpp b/src/output.cpp index 11c6fa073e..884647f478 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "output.h" #include "style_dump.h" #include "atom.h" diff --git a/src/pair.cpp b/src/pair.cpp index 8b3178415c..3b839dff49 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -16,13 +16,13 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include -#include -#include -#include +#include +#include +#include +#include +#include +#include +#include #include "pair.h" #include "atom.h" #include "neighbor.h" diff --git a/src/pair_beck.cpp b/src/pair_beck.cpp index 36e44e5c2e..cc8e14bf2c 100644 --- a/src/pair_beck.cpp +++ b/src/pair_beck.cpp @@ -15,9 +15,9 @@ Contributing author: Jonathan Zimmerman (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_beck.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_born.cpp b/src/pair_born.cpp index 979499488e..ce7a255fd4 100644 --- a/src/pair_born.cpp +++ b/src/pair_born.cpp @@ -15,10 +15,10 @@ Contributing Author: Sai Jayaraman (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_born_coul_dsf.cpp b/src/pair_born_coul_dsf.cpp index 3700aa46d7..be7f41ca2b 100644 --- a/src/pair_born_coul_dsf.cpp +++ b/src/pair_born_coul_dsf.cpp @@ -16,10 +16,10 @@ References: Fennell and Gezelter, JCP 124, 234104 (2006) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_dsf.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp index fbec4f3da7..22dcfa9f2d 100644 --- a/src/pair_born_coul_wolf.cpp +++ b/src/pair_born_coul_wolf.cpp @@ -15,10 +15,10 @@ Contributing author: Yongfeng Zhang (INL), yongfeng.zhang@inl.gov ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_born_coul_wolf.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_buck.cpp b/src/pair_buck.cpp index 8cbf97a6ba..450ce291cb 100644 --- a/src/pair_buck.cpp +++ b/src/pair_buck.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_buck.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp index 2764a8e4e4..7eecb62121 100644 --- a/src/pair_buck_coul_cut.cpp +++ b/src/pair_buck_coul_cut.cpp @@ -15,9 +15,9 @@ Contributing author: Eduardo Bringa (LLNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_buck_coul_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp index b505dcb02c..edcf26bffe 100644 --- a/src/pair_coul_cut.cpp +++ b/src/pair_coul_cut.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_coul_debye.cpp b/src/pair_coul_debye.cpp index df4555753f..ee08ab3294 100644 --- a/src/pair_coul_debye.cpp +++ b/src/pair_coul_debye.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_debye.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp index 3595f9cbee..f20eae43bd 100644 --- a/src/pair_coul_dsf.cpp +++ b/src/pair_coul_dsf.cpp @@ -16,10 +16,10 @@ References: Fennell and Gezelter, JCP 124, 234104 (2006) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_dsf.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_coul_streitz.cpp b/src/pair_coul_streitz.cpp index 82ecd1d810..1d725f4ca8 100644 --- a/src/pair_coul_streitz.cpp +++ b/src/pair_coul_streitz.cpp @@ -15,10 +15,10 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_streitz.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp index 1a7f477260..cd582f0693 100644 --- a/src/pair_coul_wolf.cpp +++ b/src/pair_coul_wolf.cpp @@ -15,10 +15,10 @@ Contributing author: Yongfeng Zhang (INL), yongfeng.zhang@inl.gov ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_coul_wolf.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp index 61f700a33e..c209de87ed 100644 --- a/src/pair_dpd.cpp +++ b/src/pair_dpd.cpp @@ -15,9 +15,9 @@ Contributing author: Kurt Smith (U Pittsburgh) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_dpd.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/pair_dpd_tstat.cpp b/src/pair_dpd_tstat.cpp index 0a5ebd33f8..f2c0b157ea 100644 --- a/src/pair_dpd_tstat.cpp +++ b/src/pair_dpd_tstat.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "pair_dpd_tstat.h" #include "atom.h" #include "update.h" diff --git a/src/pair_gauss.cpp b/src/pair_gauss.cpp index c66cfc2c80..fe53bcc9e1 100644 --- a/src/pair_gauss.cpp +++ b/src/pair_gauss.cpp @@ -15,10 +15,10 @@ Contributing author: Sai Jayaraman (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_gauss.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 751560deff..dc74dd040d 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_hybrid.h" #include "atom.h" #include "force.h" diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index 202847b028..08f5a574df 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -20,7 +20,7 @@ PairStyle(hybrid,PairHybrid) #ifndef LMP_PAIR_HYBRID_H #define LMP_PAIR_HYBRID_H -#include +#include #include "pair.h" namespace LAMMPS_NS { diff --git a/src/pair_hybrid_overlay.cpp b/src/pair_hybrid_overlay.cpp index 6776e90ff4..717c0de1d1 100644 --- a/src/pair_hybrid_overlay.cpp +++ b/src/pair_hybrid_overlay.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_hybrid_overlay.h" #include "atom.h" #include "force.h" diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp index 842b918fe1..28677a393e 100644 --- a/src/pair_lj96_cut.cpp +++ b/src/pair_lj96_cut.cpp @@ -15,10 +15,10 @@ Contributing author: Chuanfu Luo (luochuanfu@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj96_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_cubic.cpp b/src/pair_lj_cubic.cpp index c96d4490cb..4b140e5f05 100644 --- a/src/pair_lj_cubic.cpp +++ b/src/pair_lj_cubic.cpp @@ -16,10 +16,10 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cubic.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp index 215fabecbb..bb2db6aa2f 100644 --- a/src/pair_lj_cut.cpp +++ b/src/pair_lj_cut.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp index 85cf9dc97d..15c06ab36a 100644 --- a/src/pair_lj_cut_coul_cut.cpp +++ b/src/pair_lj_cut_coul_cut.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_cut_coul_debye.cpp b/src/pair_lj_cut_coul_debye.cpp index 8f5e8e7a17..dfd866ca7a 100644 --- a/src/pair_lj_cut_coul_debye.cpp +++ b/src/pair_lj_cut_coul_debye.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_lj_cut_coul_debye.h" #include "atom.h" #include "neigh_list.h" diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp index 4290586501..a49af13fb2 100644 --- a/src/pair_lj_cut_coul_dsf.cpp +++ b/src/pair_lj_cut_coul_dsf.cpp @@ -16,10 +16,10 @@ References: Fennell and Gezelter, JCP 124, 234104 (2006) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_dsf.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp index 2043de4c7d..fc8a858ce1 100644 --- a/src/pair_lj_cut_coul_wolf.cpp +++ b/src/pair_lj_cut_coul_wolf.cpp @@ -15,10 +15,10 @@ Contributing author: Vishal Boddu (FAU) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_cut_coul_wolf.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp index f2f49c872d..ba72d7d45f 100644 --- a/src/pair_lj_expand.cpp +++ b/src/pair_lj_expand.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_expand.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp index 3375c6c4e2..6b2219d2c5 100644 --- a/src/pair_lj_gromacs.cpp +++ b/src/pair_lj_gromacs.cpp @@ -15,10 +15,10 @@ Contributing author: Mark Stevens (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_gromacs.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index 26e433b381..414bfea92a 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -15,10 +15,10 @@ Contributing author: Mark Stevens (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_lj_gromacs_coul_gromacs.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp index 1afaef9235..23256d486e 100644 --- a/src/pair_lj_smooth.cpp +++ b/src/pair_lj_smooth.cpp @@ -15,9 +15,9 @@ Contributing author: Craig Maloney (UCSB) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_lj_smooth.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp index 415ca7b6d3..592a7f6f41 100644 --- a/src/pair_lj_smooth_linear.cpp +++ b/src/pair_lj_smooth_linear.cpp @@ -15,9 +15,9 @@ Contributing author: Jonathan Zimmerman (Sandia) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "pair_lj_smooth_linear.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index 04f8de8d7d..1f9267ca30 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -15,10 +15,10 @@ Contributing author: Cassiano Aimoli (aimoli@gmail.com) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_mie_cut.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp index 0e40fc7551..32ddd723b2 100644 --- a/src/pair_morse.cpp +++ b/src/pair_morse.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_morse.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp index b05058b4dc..f428893fd1 100644 --- a/src/pair_soft.cpp +++ b/src/pair_soft.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_soft.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_table.cpp b/src/pair_table.cpp index 0ee4effb01..9e9e41a54c 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "pair_table.h" #include "atom.h" #include "force.h" diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp index e036e2cdd9..965fe0204e 100644 --- a/src/pair_ufm.cpp +++ b/src/pair_ufm.cpp @@ -17,10 +17,10 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_ufm.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp index 9be9237734..040664abec 100644 --- a/src/pair_yukawa.cpp +++ b/src/pair_yukawa.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "pair_yukawa.h" #include "atom.h" #include "force.h" diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp index d2dbaeae70..98048f61d0 100644 --- a/src/pair_zbl.cpp +++ b/src/pair_zbl.cpp @@ -15,10 +15,10 @@ Contributing authors: Stephen Foiles, Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_zbl.h" #include "atom.h" #include "comm.h" diff --git a/src/pair_zero.cpp b/src/pair_zero.cpp index ab6d713cc4..d423e196af 100644 --- a/src/pair_zero.cpp +++ b/src/pair_zero.cpp @@ -15,10 +15,10 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include "pair_zero.h" #include "atom.h" #include "comm.h" diff --git a/src/random_mars.cpp b/src/random_mars.cpp index 1300cbbb8d..464e640eab 100644 --- a/src/random_mars.cpp +++ b/src/random_mars.cpp @@ -14,7 +14,7 @@ // Marsaglia random number generator // see RANMAR in F James, Comp Phys Comm, 60, 329 (1990) -#include +#include #include "random_mars.h" #include "error.h" diff --git a/src/random_park.cpp b/src/random_park.cpp index 80460a39fd..fc00939bd4 100644 --- a/src/random_park.cpp +++ b/src/random_park.cpp @@ -13,7 +13,7 @@ // Park/Miller RNG -#include +#include #include "random_park.h" #include "error.h" diff --git a/src/rcb.cpp b/src/rcb.cpp index 2ef3e0c136..3027920310 100644 --- a/src/rcb.cpp +++ b/src/rcb.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "rcb.h" #include "irregular.h" #include "memory.h" diff --git a/src/read_data.cpp b/src/read_data.cpp index 4b84016744..5faa8f9646 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -17,10 +17,10 @@ #include "lmptype.h" #include -#include -#include -#include -#include +#include +#include +#include +#include #include "read_data.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/read_data.h b/src/read_data.h index 9b7ca66259..9dce8cfcf5 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -20,7 +20,7 @@ CommandStyle(read_data,ReadData) #ifndef LMP_READ_DATA_H #define LMP_READ_DATA_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/read_dump.cpp b/src/read_dump.cpp index 7f2488fbb2..30934f123b 100644 --- a/src/read_dump.cpp +++ b/src/read_dump.cpp @@ -21,8 +21,8 @@ #include "lmptype.h" #include -#include -#include +#include +#include #include "read_dump.h" #include "reader.h" #include "style_reader.h" diff --git a/src/read_dump.h b/src/read_dump.h index 3fc554b511..eb70b99808 100644 --- a/src/read_dump.h +++ b/src/read_dump.h @@ -22,7 +22,7 @@ CommandStyle(read_dump,ReadDump) #ifndef LMP_READ_DUMP_H #define LMP_READ_DUMP_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/read_restart.cpp b/src/read_restart.cpp index 60d4a7199e..1164de6faa 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include #include "read_restart.h" #include "atom.h" diff --git a/src/read_restart.h b/src/read_restart.h index 0c4661cb55..8d2547fb10 100644 --- a/src/read_restart.h +++ b/src/read_restart.h @@ -20,7 +20,7 @@ CommandStyle(read_restart,ReadRestart) #ifndef LMP_READ_RESTART_H #define LMP_READ_RESTART_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/reader.cpp b/src/reader.cpp index b8914d1b10..f6e8bd39eb 100644 --- a/src/reader.cpp +++ b/src/reader.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "reader.h" #include "error.h" diff --git a/src/reader_native.cpp b/src/reader_native.cpp index 529325ed18..2c60ffdfd4 100644 --- a/src/reader_native.cpp +++ b/src/reader_native.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "reader_native.h" #include "atom.h" #include "memory.h" diff --git a/src/reader_xyz.cpp b/src/reader_xyz.cpp index a56b503f5e..5cb3476510 100644 --- a/src/reader_xyz.cpp +++ b/src/reader_xyz.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "reader_xyz.h" #include "atom.h" #include "memory.h" diff --git a/src/region.cpp b/src/region.cpp index 047c43ce4b..88a414b134 100644 --- a/src/region.cpp +++ b/src/region.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "region.h" #include "update.h" #include "domain.h" diff --git a/src/region_block.cpp b/src/region_block.cpp index 8e1659aa13..eeca132378 100644 --- a/src/region_block.cpp +++ b/src/region_block.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "region_block.h" #include "force.h" #include "domain.h" diff --git a/src/region_cone.cpp b/src/region_cone.cpp index 2af39f93a9..72f56a268f 100644 --- a/src/region_cone.cpp +++ b/src/region_cone.cpp @@ -15,9 +15,9 @@ Contributing author: Pim Schravendijk ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "region_cone.h" #include "domain.h" #include "error.h" diff --git a/src/region_cylinder.cpp b/src/region_cylinder.cpp index 959992f77b..0b15a3644d 100644 --- a/src/region_cylinder.cpp +++ b/src/region_cylinder.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "region_cylinder.h" #include "update.h" #include "domain.h" diff --git a/src/region_intersect.cpp b/src/region_intersect.cpp index 4fb84dda59..96d3bed16c 100644 --- a/src/region_intersect.cpp +++ b/src/region_intersect.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "region_intersect.h" #include "domain.h" #include "error.h" diff --git a/src/region_plane.cpp b/src/region_plane.cpp index 3c945eb553..e67a2c85bd 100644 --- a/src/region_plane.cpp +++ b/src/region_plane.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "region_plane.h" #include "error.h" #include "force.h" diff --git a/src/region_prism.cpp b/src/region_prism.cpp index b8b7b30368..22fc504c37 100644 --- a/src/region_prism.cpp +++ b/src/region_prism.cpp @@ -15,9 +15,9 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "region_prism.h" #include "domain.h" #include "force.h" diff --git a/src/region_sphere.cpp b/src/region_sphere.cpp index 8aef087d38..5645b3369d 100644 --- a/src/region_sphere.cpp +++ b/src/region_sphere.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include +#include +#include +#include #include "region_sphere.h" #include "update.h" #include "input.h" diff --git a/src/region_union.cpp b/src/region_union.cpp index abb6f854e3..33ac6fedd7 100644 --- a/src/region_union.cpp +++ b/src/region_union.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "region_union.h" #include "domain.h" #include "error.h" diff --git a/src/replicate.cpp b/src/replicate.cpp index 1251688211..7954e42914 100644 --- a/src/replicate.cpp +++ b/src/replicate.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "replicate.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/rerun.cpp b/src/rerun.cpp index 6081a6fc47..f8a37b5946 100644 --- a/src/rerun.cpp +++ b/src/rerun.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "rerun.h" #include "read_dump.h" #include "domain.h" diff --git a/src/respa.cpp b/src/respa.cpp index 7080a73948..73e280b03d 100644 --- a/src/respa.cpp +++ b/src/respa.cpp @@ -15,8 +15,8 @@ Contributing authors: Mark Stevens (SNL), Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "respa.h" #include "neighbor.h" #include "atom.h" diff --git a/src/run.cpp b/src/run.cpp index 37af977e34..beb71be52c 100644 --- a/src/run.cpp +++ b/src/run.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "run.h" #include "domain.h" #include "update.h" diff --git a/src/set.cpp b/src/set.cpp index 77cae4cb09..f741760ed5 100644 --- a/src/set.cpp +++ b/src/set.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "set.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/special.cpp b/src/special.cpp index 56529e748b..fccc930353 100644 --- a/src/special.cpp +++ b/src/special.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "special.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/thermo.cpp b/src/thermo.cpp index 211ace5232..fb3d1abc48 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -17,9 +17,9 @@ #include "lmptype.h" #include -#include -#include -#include +#include +#include +#include #include "thermo.h" #include "atom.h" #include "update.h" diff --git a/src/timer.cpp b/src/timer.cpp index 9c1aa87943..99468582af 100644 --- a/src/timer.cpp +++ b/src/timer.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include -#include +#include +#include #include "timer.h" #include "comm.h" #include "error.h" @@ -22,13 +22,13 @@ #ifdef _WIN32 #include -#include +#include #else #include #include #endif -#include +#include using namespace LAMMPS_NS; diff --git a/src/universe.cpp b/src/universe.cpp index c2a6754fac..45b4318ec9 100644 --- a/src/universe.cpp +++ b/src/universe.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "universe.h" #include "version.h" #include "error.h" diff --git a/src/universe.h b/src/universe.h index 4ff4d7dd14..3073409b86 100644 --- a/src/universe.h +++ b/src/universe.h @@ -14,7 +14,7 @@ #ifndef LMP_UNIVERSE_H #define LMP_UNIVERSE_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/update.cpp b/src/update.cpp index 6282c0a875..aa152a8508 100644 --- a/src/update.cpp +++ b/src/update.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include +#include #include "update.h" #include "integrate.h" #include "min.h" diff --git a/src/variable.cpp b/src/variable.cpp index 34dc33da39..b5c19a4843 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include -#include -#include +#include +#include +#include +#include #include #include "variable.h" #include "universe.h" diff --git a/src/variable.h b/src/variable.h index 9dcbaebd4f..a74cdba980 100644 --- a/src/variable.h +++ b/src/variable.h @@ -14,7 +14,7 @@ #ifndef LMP_VARIABLE_H #define LMP_VARIABLE_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/velocity.cpp b/src/velocity.cpp index 260a11bb4e..f83f778f8b 100644 --- a/src/velocity.cpp +++ b/src/velocity.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include -#include +#include +#include +#include +#include #include "velocity.h" #include "atom.h" #include "update.h" diff --git a/src/verlet.cpp b/src/verlet.cpp index 019f3f2f05..fcba248d5f 100644 --- a/src/verlet.cpp +++ b/src/verlet.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "verlet.h" #include "neighbor.h" #include "domain.h" diff --git a/src/write_coeff.cpp b/src/write_coeff.cpp index 0556d647cf..5f82a480fd 100644 --- a/src/write_coeff.cpp +++ b/src/write_coeff.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include #include "write_coeff.h" #include "pair.h" diff --git a/src/write_coeff.h b/src/write_coeff.h index 9228e879bc..569a615e6e 100644 --- a/src/write_coeff.h +++ b/src/write_coeff.h @@ -20,7 +20,7 @@ CommandStyle(write_coeff,WriteCoeff) #ifndef LMP_WRITE_COEFF_H #define LMP_WRITE_COEFF_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/write_data.cpp b/src/write_data.cpp index d9694f7cd3..85fbe6e5c7 100644 --- a/src/write_data.cpp +++ b/src/write_data.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "write_data.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/write_data.h b/src/write_data.h index ced6a3be8b..6f1bb2ec47 100644 --- a/src/write_data.h +++ b/src/write_data.h @@ -20,7 +20,7 @@ CommandStyle(write_data,WriteData) #ifndef LMP_WRITE_DATA_H #define LMP_WRITE_DATA_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { diff --git a/src/write_dump.cpp b/src/write_dump.cpp index dcf6c05a14..bb79c654b4 100644 --- a/src/write_dump.cpp +++ b/src/write_dump.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include #include "write_dump.h" #include "style_dump.h" #include "dump.h" diff --git a/src/write_restart.cpp b/src/write_restart.cpp index c92fd15334..c82791e2c1 100644 --- a/src/write_restart.cpp +++ b/src/write_restart.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include #include "write_restart.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/write_restart.h b/src/write_restart.h index 2253977bda..c6202acbfd 100644 --- a/src/write_restart.h +++ b/src/write_restart.h @@ -20,7 +20,7 @@ CommandStyle(write_restart,WriteRestart) #ifndef LMP_WRITE_RESTART_H #define LMP_WRITE_RESTART_H -#include +#include #include "pointers.h" namespace LAMMPS_NS { From 0015b15b185180f75e13d868d6b2276d241f6bc4 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 27 Apr 2018 18:25:30 -0400 Subject: [PATCH 2/3] revert back to as the former seems to require C++-11 --- src/USER-INTEL/intel_intrinsics_airebo.h | 2 +- src/USER-INTEL/pair_airebo_intel.cpp | 2 +- src/USER-OMP/pair_agni_omp.cpp | 2 +- src/info.cpp | 2 +- src/lmptype.h | 2 +- src/math_special.cpp | 2 +- src/timer.cpp | 2 +- 7 files changed, 7 insertions(+), 7 deletions(-) diff --git a/src/USER-INTEL/intel_intrinsics_airebo.h b/src/USER-INTEL/intel_intrinsics_airebo.h index d055ed549a..4a86d8db29 100644 --- a/src/USER-INTEL/intel_intrinsics_airebo.h +++ b/src/USER-INTEL/intel_intrinsics_airebo.h @@ -744,7 +744,7 @@ struct intr_types { #include #include -#include +#include // requires C++-11 #define VEC_INLINE __attribute__((always_inline)) diff --git a/src/USER-INTEL/pair_airebo_intel.cpp b/src/USER-INTEL/pair_airebo_intel.cpp index f4071903aa..07f33f7ebe 100644 --- a/src/USER-INTEL/pair_airebo_intel.cpp +++ b/src/USER-INTEL/pair_airebo_intel.cpp @@ -23,7 +23,7 @@ #include #include #include -#include +#include // requires C++-11 #include #include #include "lmptype.h" diff --git a/src/USER-OMP/pair_agni_omp.cpp b/src/USER-OMP/pair_agni_omp.cpp index b938511656..e8f003ea88 100644 --- a/src/USER-OMP/pair_agni_omp.cpp +++ b/src/USER-OMP/pair_agni_omp.cpp @@ -14,7 +14,7 @@ #include #include -#include +#include // requires C++-11 #include "pair_agni_omp.h" #include "atom.h" #include "comm.h" diff --git a/src/info.cpp b/src/info.cpp index be832cc6f7..65c0cd9b53 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -51,7 +51,7 @@ #ifdef _WIN32 #define PSAPI_VERSION 1 #include -#include +#include // requires C++-11 #include #else #include diff --git a/src/lmptype.h b/src/lmptype.h index 76573faa5c..3580df7b52 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -37,7 +37,7 @@ #endif #include -#include +#include // requires C++-11 #include // grrr - IBM Power6 does not provide this def in their system header files diff --git a/src/math_special.cpp b/src/math_special.cpp index 78b993bb2b..31567bdc77 100644 --- a/src/math_special.cpp +++ b/src/math_special.cpp @@ -1,5 +1,5 @@ #include -#include +#include // requires C++-11 #include "math_special.h" using namespace LAMMPS_NS; diff --git a/src/timer.cpp b/src/timer.cpp index 99468582af..65cb6ab5d8 100644 --- a/src/timer.cpp +++ b/src/timer.cpp @@ -22,7 +22,7 @@ #ifdef _WIN32 #include -#include +#include // requires C++-11 #else #include #include From ca6f99129ddc74a9ba25daee423427d9888d2560 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 27 Apr 2018 18:39:11 -0400 Subject: [PATCH 3/3] revert back to as the former seems to require C++-11 --- src/dump_dcd.cpp | 2 +- src/lmptype.h | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/dump_dcd.cpp b/src/dump_dcd.cpp index acff605fb5..384e9089c0 100644 --- a/src/dump_dcd.cpp +++ b/src/dump_dcd.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include -#include +#include // requires C++-11 #include #include #include diff --git a/src/lmptype.h b/src/lmptype.h index 3580df7b52..2be1d2ac38 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -37,8 +37,8 @@ #endif #include -#include // requires C++-11 -#include +#include // requires C++-11 +#include // requires C++-11 // grrr - IBM Power6 does not provide this def in their system header files