more USER-OMP updates

This commit is contained in:
Axel Kohlmeyer 2020-09-04 01:32:52 -04:00
parent d0691d0a5d
commit fc3d9fee5e
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
108 changed files with 338 additions and 305 deletions
src/USER-OMP
angle_charmm_omp.cppangle_class2_omp.cppangle_cosine_delta_omp.cppangle_cosine_omp.cppangle_cosine_periodic_omp.cppangle_cosine_shift_exp_omp.cppangle_cosine_shift_omp.cppangle_cosine_squared_omp.cppangle_dipole_omp.cppangle_fourier_omp.cppangle_fourier_simple_omp.cppangle_harmonic_omp.cppangle_quartic_omp.cppangle_sdk_omp.cppangle_table_omp.cppbond_class2_omp.cppbond_fene_expand_omp.cppbond_fene_omp.cppbond_gromos_omp.cppbond_harmonic_omp.cppbond_harmonic_shift_cut_omp.cppbond_harmonic_shift_omp.cppbond_morse_omp.cppbond_nonlinear_omp.cppbond_quartic_omp.cppbond_table_omp.cppdihedral_charmm_omp.cppdihedral_class2_omp.cppdihedral_cosine_shift_exp_omp.cppdihedral_fourier_omp.cppdihedral_harmonic_omp.cppdihedral_helix_omp.cppdihedral_multi_harmonic_omp.cppdihedral_nharmonic_omp.cppdihedral_opls_omp.cppdihedral_quadratic_omp.cppdihedral_table_omp.cppfix_omp.cppfix_rigid_nh_omp.cppfix_rigid_small_omp.cppimproper_class2_omp.cppimproper_cossq_omp.cppimproper_cvff_omp.cppimproper_fourier_omp.cppimproper_harmonic_omp.cppimproper_umbrella_omp.cppmsm_cg_omp.cpppair_adp_omp.cpppair_airebo_morse_omp.cpppair_airebo_omp.cpppair_beck_omp.cpppair_born_coul_long_omp.cpppair_born_coul_msm_omp.cpppair_born_coul_wolf_omp.cpppair_born_omp.cpppair_brownian_omp.cpppair_brownian_poly_omp.cpppair_buck_coul_long_omp.cpppair_buck_coul_msm_omp.cpppair_buck_long_coul_long_omp.cpppair_buck_omp.cpppair_colloid_omp.cpppair_comb_omp.cpppair_coul_cut_omp.cpppair_coul_debye_omp.cpppair_coul_dsf_omp.cpppair_coul_long_omp.cpppair_coul_msm_omp.cpppair_coul_wolf_omp.cpppair_dpd_omp.cpppair_dpd_tstat_omp.cpppair_gauss_omp.cpppair_gayberne_omp.cpppair_lj96_cut_omp.cpppair_lj_charmm_coul_long_omp.cpppair_lj_charmm_coul_msm_omp.cpppair_lj_class2_coul_cut_omp.cpppair_lj_class2_coul_long_omp.cpppair_lj_class2_omp.cpppair_lj_cubic_omp.cpppair_lj_cut_coul_cut_omp.cpppair_lj_cut_coul_debye_omp.cpppair_lj_cut_coul_dsf_omp.cpppair_lj_cut_coul_long_omp.cpppair_lj_cut_coul_msm_omp.cpppair_lj_cut_dipole_cut_omp.cpppair_lj_cut_omp.cpppair_lj_cut_thole_long_omp.cpppair_lj_expand_omp.cpppair_lj_gromacs_coul_gromacs_omp.cpppair_lj_gromacs_omp.cpppair_lj_long_coul_long_omp.cpppair_lj_long_tip4p_long_omp.cpppair_lj_smooth_linear_omp.cpppair_lj_smooth_omp.cpppair_lubricate_omp.cpppair_lubricate_poly_omp.cpppair_morse_omp.cpppair_reaxc_omp.cpppair_resquared_omp.cpp

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "math_special.h"
#include "suffix.h"

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -23,7 +23,7 @@
#include "error.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -20,7 +20,7 @@
#include <cmath>
#include "atom.h"
#include "neighbor.h"
#include "timer.h"
#include "comm.h"
#include "force.h"
#include "lj_sdk_common.h"

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@ -22,7 +22,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "error.h"
#include "update.h"

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "error.h"
#include "update.h"

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include "pair.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "timer.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "pair.h"
#include "update.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "math_const.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -24,7 +24,7 @@
#include "force.h"
#include "update.h"
#include "error.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -24,7 +24,7 @@
#include "force.h"
#include "update.h"
#include "error.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -23,7 +23,7 @@
#include "domain.h"
#include "neighbor.h"
#include "force.h"
#include "timer.h"
#include "math_const.h"
#include "math_extra.h"

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@ -16,7 +16,9 @@
OpenMP based threading support for LAMMPS
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include "fix_omp.h"
#include "thr_data.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
@ -25,10 +27,6 @@
#include "neigh_request.h"
#include "universe.h"
#include "update.h"
#include "timer.h"
#include "fix_omp.h"
#include "thr_data.h"
#include "pair_hybrid.h"
#include "bond_hybrid.h"
@ -39,6 +37,7 @@
#include <cstring>
#include "omp_compat.h"
#if defined(_OPENMP)
#include <omp.h>
#endif

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@ -31,7 +31,7 @@
#include "kspace.h"
#include "modify.h"
#include "update.h"
#include "timer.h"
#if defined(_OPENMP)
#include <omp.h>

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@ -24,7 +24,7 @@
#include "atom_vec_tri.h"
#include "comm.h"
#include "domain.h"
#include "timer.h"
#if defined(_OPENMP)
#include <omp.h>

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -23,7 +23,7 @@
#include "force.h"
#include "neighbor.h"
#include "suffix.h"
#include "timer.h"
#include "update.h"
#include <cmath>

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -21,7 +21,7 @@
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "timer.h"
#include "force.h"
#include "update.h"
#include "error.h"

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@ -31,6 +31,9 @@
#include <cstring>
#include "omp_compat.h"
#if defined(_OPENMP)
#include <omp.h>
#endif
using namespace LAMMPS_NS;

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@ -12,19 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include <cstring>
#include "pair_adp_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "memory.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,8 +12,6 @@
------------------------------------------------------------------------- */
#include "pair_airebo_morse_omp.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;

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@ -12,19 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_airebo_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "math_special.h"
#include "memory.h"
#include "my_page.h"
#include "math_special.h"
#include "neighbor.h"
#include "neigh_list.h"
#include <cmath>
#include "omp_compat.h"
#if defined(_OPENMP)
#include <omp.h>
#endif

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@ -20,7 +20,7 @@
#include "force.h"
#include "neigh_list.h"
#include "math_special.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_born_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

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@ -12,17 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_born_coul_msm_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -20,7 +20,7 @@
#include "force.h"
#include "neigh_list.h"
#include "math_const.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -19,7 +19,7 @@
#include "comm.h"
#include "force.h"
#include "neigh_list.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -12,26 +12,25 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include "pair_brownian_omp.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "fix_wall.h"
#include "force.h"
#include "input.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "variable.h"
#include "random_mars.h"
#include "math_const.h"
#include "math_special.h"
#include "timer.h"
#include "fix_wall.h"
#include "neigh_list.h"
#include "random_mars.h"
#include "suffix.h"
#include "update.h"
#include "variable.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace MathConst;
using namespace MathSpecial;

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@ -12,25 +12,25 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include "pair_brownian_poly_omp.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "fix_wall.h"
#include "force.h"
#include "input.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "variable.h"
#include "random_mars.h"
#include "fix_wall.h"
#include "math_const.h"
#include "math_special.h"
#include "neigh_list.h"
#include "random_mars.h"
#include "suffix.h"
#include "update.h"
#include "variable.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace MathConst;
using namespace MathSpecial;

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_buck_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

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@ -12,17 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_buck_coul_msm_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -11,18 +11,18 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "math_vector.h"
#include "pair_buck_long_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "force.h"
#include "math_vector.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

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@ -19,7 +19,7 @@
#include "comm.h"
#include "force.h"
#include "neigh_list.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -12,18 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_colloid_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "math_special.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace MathSpecial;

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@ -12,19 +12,21 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_comb_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "group.h"
#include "force.h"
#include "memory.h"
#include "my_page.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include "omp_compat.h"
#if defined(_OPENMP)
#include <omp.h>
#endif
using namespace LAMMPS_NS;
#define MAXNEIGH 24

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@ -19,7 +19,7 @@
#include "comm.h"
#include "force.h"
#include "neigh_list.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -19,7 +19,7 @@
#include "comm.h"
#include "force.h"
#include "neigh_list.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -19,7 +19,7 @@
#include "comm.h"
#include "force.h"
#include "neigh_list.h"
#include "timer.h"
#include "suffix.h"
#include "math_const.h"
using namespace LAMMPS_NS;

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

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@ -12,17 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_coul_msm_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -20,7 +20,7 @@
#include "force.h"
#include "neigh_list.h"
#include "math_const.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -21,7 +21,7 @@
#include "neigh_list.h"
#include "update.h"
#include "random_mars.h"
#include "timer.h"
#include "suffix.h"
using namespace LAMMPS_NS;

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@ -12,18 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_dpd_tstat_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "random_mars.h"
#include "suffix.h"
#include "update.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EPSILON 1.0e-10

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_gauss_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EPSILON 1.0e-10

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@ -12,18 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_gayberne_omp.h"
#include "math_extra.h"
#include "atom.h"
#include "comm.h"
#include "atom_vec_ellipsoid.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
#include "comm.h"
#include "force.h"
#include "math_extra.h"
#include "neigh_list.h"
#include "suffix.h"
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj96_cut_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_charmm_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,17 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_charmm_coul_msm_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_class2_coul_cut_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_class2_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_class2_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cubic_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace PairLJCubicConstants;

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_coul_cut_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_coul_debye_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,17 +12,18 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_coul_dsf_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include "math_const.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace MathConst;

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

View File

@ -12,17 +12,19 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_coul_msm_omp.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_dipole_cut_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,16 +12,15 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_cut_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -32,7 +32,7 @@
#include "math_const.h"
#include "error.h"
#include "suffix.h"
#include "timer.h"
using namespace LAMMPS_NS;
using namespace MathConst;

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_expand_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_gromacs_coul_gromacs_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_gromacs_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,17 +12,18 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_long_coul_long_omp.h"
#include "atom.h"
#include "comm.h"
#include "math_vector.h"
#include "force.h"
#include "neighbor.h"
#include "math_vector.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

View File

@ -12,20 +12,21 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_long_tip4p_long_omp.h"
#include "atom.h"
#include "domain.h"
#include "comm.h"
#include "math_vector.h"
#include "force.h"
#include "neighbor.h"
#include "domain.h"
#include "error.h"
#include "force.h"
#include "memory.h"
#include "neigh_list.h"
#include "neighbor.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
#define EWALD_F 1.12837917

View File

@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_smooth_linear_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lj_smooth_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -12,24 +12,23 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_lubricate_omp.h"
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "fix_wall.h"
#include "force.h"
#include "input.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "variable.h"
#include "random_mars.h"
#include "fix_wall.h"
#include "fix_deform.h"
#include "math_const.h"
#include "neigh_list.h"
#include "neighbor.h"
#include "suffix.h"
#include "variable.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace MathConst;

View File

@ -12,24 +12,22 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include "pair_lubricate_poly_omp.h"
#include <cmath>
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "fix_wall.h"
#include "force.h"
#include "input.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "variable.h"
#include "random_mars.h"
#include "fix_wall.h"
#include "fix_deform.h"
#include "math_const.h"
#include "neigh_list.h"
#include "suffix.h"
#include "variable.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
using namespace MathConst;

View File

@ -12,16 +12,17 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_morse_omp.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "suffix.h"
#include <cmath>
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

View File

@ -48,7 +48,7 @@
#include "citeme.h"
#include "memory.h"
#include "error.h"
#include "timer.h"
#include "reaxc_defs.h"
#include "reaxc_types.h"

View File

@ -12,18 +12,16 @@
Contributing author: Axel Kohlmeyer (Temple U)
------------------------------------------------------------------------- */
#include "omp_compat.h"
#include <cmath>
#include "pair_resquared_omp.h"
#include "math_extra.h"
#include "atom.h"
#include "comm.h"
#include "atom_vec_ellipsoid.h"
#include "force.h"
#include "neighbor.h"
#include "math_extra.h"
#include "neigh_list.h"
#include "suffix.h"
#include "omp_compat.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

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