forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@257 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
b1fd7ab82d
commit
aa53a2b188
|
|
@ -42,7 +42,7 @@ makelist:
|
|||
# Packages
|
||||
|
||||
package:
|
||||
@echo 'Available packages: class2, dpd, granular, kspace, manybody,"
|
||||
@echo 'Available packages: class2, dpd, granular, kspace, manybody,'
|
||||
@echo ' meam, molecule, opt, poems, xtc'
|
||||
@echo ' "make yes-name" include a package'
|
||||
@echo ' "make no-name" exclude a package'
|
||||
|
|
|
|||
|
|
@ -7,9 +7,9 @@ SHELL = /bin/sh
|
|||
ROOT = lmp
|
||||
EXE = lib$(ROOT)_$@.a
|
||||
|
||||
SRC = angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dpd.cpp atom_vec_granular.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp comm.cpp compute.cpp compute_pressure.cpp compute_rotate_dipole.cpp compute_rotate_gran.cpp compute_temp.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xtc.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_force.cpp fix_com.cpp fix_deposit.cpp fix_drag.cpp fix_dump_centro.cpp fix_dump_epair.cpp fix_dump_etotal.cpp fix_dump_ke.cpp fix_dump_stress.cpp fix_efield.cpp fix_enforce2d.cpp fix_freeze.cpp fix_gran_diag.cpp fix_gravity.cpp fix_gyration.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_nve.cpp fix_nve_gran.cpp fix_nvt.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_pour.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_rescale.cpp fix_tmd.cpp fix_uniaxial.cpp fix_viscous.cpp fix_volume_rescale.cpp fix_wall_gran.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp memory.cpp min.cpp min_cg.cpp min_cg_fr.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_full.cpp neigh_gran.cpp neigh_half.cpp neigh_respa.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.cpp pair_gran_hertzian.cpp pair_gran_history.cpp pair_gran_no_history.cpp pair_hybrid.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_expand.cpp pair_lj_smooth.cpp pair_morse.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp
|
||||
SRC = angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dpd.cpp atom_vec_granular.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp comm.cpp compute.cpp compute_centro_atom.cpp compute_epair_atom.cpp compute_etotal_atom.cpp compute_ke_atom.cpp compute_pressure.cpp compute_rotate_dipole.cpp compute_rotate_gran.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_force.cpp fix_com.cpp fix_deposit.cpp fix_drag.cpp fix_efield.cpp fix_enforce2d.cpp fix_freeze.cpp fix_gran_diag.cpp fix_gravity.cpp fix_gyration.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_nve.cpp fix_nve_gran.cpp fix_nvt.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_pour.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_rescale.cpp fix_tmd.cpp fix_uniaxial.cpp fix_viscous.cpp fix_volume_rescale.cpp fix_wall_gran.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp memory.cpp min.cpp min_cg.cpp min_cg_fr.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_full.cpp neigh_gran.cpp neigh_half.cpp neigh_respa.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.cpp pair_gran_hertzian.cpp pair_gran_history.cpp pair_gran_no_history.cpp pair_hybrid.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_expand.cpp pair_lj_smooth.cpp pair_morse.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp
|
||||
|
||||
INC = angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_dpd.h atom_vec_granular.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h comm.h compute.h compute_pressure.h compute_rotate_dipole.h compute_rotate_gran.h compute_temp.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xtc.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_force.h fix_com.h fix_deposit.h fix_drag.h fix_dump_centro.h fix_dump_epair.h fix_dump_etotal.h fix_dump_ke.h fix_dump_stress.h fix_efield.h fix_enforce2d.h fix_freeze.h fix_gran_diag.h fix_gravity.h fix_gyration.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_nve.h fix_nve_gran.h fix_nvt.h fix_orient_fcc.h fix_plane_force.h fix_pour.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_rescale.h fix_tmd.h fix_uniaxial.h fix_viscous.h fix_volume_rescale.h fix_wall_gran.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h memory.h min.h min_cg.h min_cg_fr.h min_sd.h minimize.h modify.h neighbor.h output.h pack.h pair.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_fs.h pair_gran_hertzian.h pair_gran_history.h pair_gran_no_history.h pair_hybrid.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_expand.h pair_lj_smooth.h pair_morse.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_class2.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_poems.h style_user.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h
|
||||
INC = angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_dpd.h atom_vec_granular.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h comm.h compute.h compute_centro_atom.h compute_epair_atom.h compute_etotal_atom.h compute_ke_atom.h compute_pressure.h compute_rotate_dipole.h compute_rotate_gran.h compute_stress_atom.h compute_temp.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_force.h fix_com.h fix_deposit.h fix_drag.h fix_efield.h fix_enforce2d.h fix_freeze.h fix_gran_diag.h fix_gravity.h fix_gyration.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_nve.h fix_nve_gran.h fix_nvt.h fix_orient_fcc.h fix_plane_force.h fix_pour.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_rescale.h fix_tmd.h fix_uniaxial.h fix_viscous.h fix_volume_rescale.h fix_wall_gran.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h memory.h min.h min_cg.h min_cg_fr.h min_sd.h minimize.h modify.h neighbor.h output.h pack.h pair.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_fs.h pair_gran_hertzian.h pair_gran_history.h pair_gran_no_history.h pair_hybrid.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_expand.h pair_lj_smooth.h pair_morse.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_class2.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_opt.h style_poems.h style_user.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h
|
||||
|
||||
OBJ = $(SRC:.cpp=.o)
|
||||
|
||||
|
|
|
|||
|
|
@ -7,9 +7,9 @@ SHELL = /bin/sh
|
|||
ROOT = lmp
|
||||
EXE = $(ROOT)_$@
|
||||
|
||||
SRC = angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_angle.cpp atom_atomic.cpp atom_bond.cpp atom_charge.cpp atom_dpd.cpp atom_full.cpp atom_granular.cpp atom_hybrid.cpp atom_molecular.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp comm.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_force.cpp fix_centro.cpp fix_com.cpp fix_drag.cpp fix_efield.cpp fix_energy.cpp fix_enforce2d.cpp fix_freeze.cpp fix_gran_diag.cpp fix_gravity.cpp fix_gyration.cpp fix_indent.cpp fix_insert.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_nve.cpp fix_nve_gran.cpp fix_nvt.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_stress.cpp fix_temp_rescale.cpp fix_tmd.cpp fix_uniaxial.cpp fix_viscous.cpp fix_volume_rescale.cpp fix_wall_gran.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp kspace.cpp lammps.cpp library.cpp main.cpp memory.cpp min.cpp min_cg.cpp min_cg_fr.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_full.cpp neigh_gran.cpp neigh_half.cpp neigh_respa.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.cpp pair_gran_hertzian.cpp pair_gran_history.cpp pair_gran_no_history.cpp pair_hybrid.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_cut_fast.cpp pair_lj_expand.cpp pair_lj_smooth.cpp pair_morse.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp pressure.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp system.cpp temp_full.cpp temp_partial.cpp temp_ramp.cpp temp_region.cpp temper.cpp temperature.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp
|
||||
SRC = angle.cpp angle_charmm.cpp angle_class2.cpp angle_cosine.cpp angle_cosine_squared.cpp angle_harmonic.cpp angle_hybrid.cpp atom.cpp atom_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dpd.cpp atom_vec_granular.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.cpp bond_class2.cpp bond_fene.cpp bond_fene_expand.cpp bond_harmonic.cpp bond_hybrid.cpp bond_morse.cpp bond_nonlinear.cpp bond_quartic.cpp comm.cpp compute.cpp compute_centro_atom.cpp compute_epair_atom.cpp compute_etotal_atom.cpp compute_ke_atom.cpp compute_pressure.cpp compute_rotate_dipole.cpp compute_rotate_gran.cpp compute_stress_atom.cpp compute_temp.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.cpp dihedral_class2.cpp dihedral_harmonic.cpp dihedral_helix.cpp dihedral_hybrid.cpp dihedral_multi_harmonic.cpp dihedral_opls.cpp displace_atoms.cpp domain.cpp dump.cpp dump_atom.cpp dump_bond.cpp dump_custom.cpp dump_dcd.cpp dump_xyz.cpp error.cpp ewald.cpp fft3d.cpp fft3d_wrap.cpp finish.cpp fix.cpp fix_add_force.cpp fix_ave_force.cpp fix_com.cpp fix_deposit.cpp fix_drag.cpp fix_efield.cpp fix_enforce2d.cpp fix_freeze.cpp fix_gran_diag.cpp fix_gravity.cpp fix_gyration.cpp fix_indent.cpp fix_langevin.cpp fix_line_force.cpp fix_minimize.cpp fix_momentum.cpp fix_msd.cpp fix_nph.cpp fix_npt.cpp fix_nve.cpp fix_nve_gran.cpp fix_nvt.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_pour.cpp fix_print.cpp fix_rdf.cpp fix_recenter.cpp fix_respa.cpp fix_rigid.cpp fix_set_force.cpp fix_shake.cpp fix_shear_history.cpp fix_spring.cpp fix_spring_rg.cpp fix_spring_self.cpp fix_temp_rescale.cpp fix_tmd.cpp fix_uniaxial.cpp fix_viscous.cpp fix_volume_rescale.cpp fix_wall_gran.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.cpp improper_class2.cpp improper_cvff.cpp improper_harmonic.cpp improper_hybrid.cpp input.cpp kspace.cpp lammps.cpp lattice.cpp library.cpp main.cpp memory.cpp min.cpp min_cg.cpp min_cg_fr.cpp min_sd.cpp minimize.cpp modify.cpp neigh_bond.cpp neigh_full.cpp neigh_gran.cpp neigh_half.cpp neigh_respa.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.cpp pair_gran_hertzian.cpp pair_gran_history.cpp pair_gran_no_history.cpp pair_hybrid.cpp pair_lj_charmm_coul_charmm.cpp pair_lj_charmm_coul_charmm_implicit.cpp pair_lj_charmm_coul_long.cpp pair_lj_class2.cpp pair_lj_class2_coul_cut.cpp pair_lj_class2_coul_long.cpp pair_lj_cut.cpp pair_lj_cut_coul_cut.cpp pair_lj_cut_coul_debye.cpp pair_lj_cut_coul_long.cpp pair_lj_cut_coul_long_tip4p.cpp pair_lj_expand.cpp pair_lj_smooth.cpp pair_morse.cpp pair_soft.cpp pair_sw.cpp pair_table.cpp pair_tersoff.cpp pair_yukawa.cpp pppm.cpp pppm_tip4p.cpp random_mars.cpp random_park.cpp read_data.cpp read_restart.cpp region.cpp region_block.cpp region_cylinder.cpp region_intersect.cpp region_prism.cpp region_sphere.cpp region_union.cpp remap.cpp remap_wrap.cpp replicate.cpp respa.cpp run.cpp set.cpp shell.cpp special.cpp temper.cpp thermo.cpp timer.cpp universe.cpp update.cpp variable.cpp velocity.cpp verlet.cpp write_restart.cpp
|
||||
|
||||
INC = angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_angle.h atom_atomic.h atom_bond.h atom_charge.h atom_dpd.h atom_full.h atom_granular.h atom_hybrid.h atom_molecular.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h comm.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_force.h fix_centro.h fix_com.h fix_drag.h fix_efield.h fix_energy.h fix_enforce2d.h fix_freeze.h fix_gran_diag.h fix_gravity.h fix_gyration.h fix_indent.h fix_insert.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_nve.h fix_nve_gran.h fix_nvt.h fix_orient_fcc.h fix_plane_force.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_stress.h fix_temp_rescale.h fix_tmd.h fix_uniaxial.h fix_viscous.h fix_volume_rescale.h fix_wall_gran.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h library.h memory.h memory.hold.h min.h min_cg.h min_cg_fr.h min_sd.h minimize.h modify.h neighbor.h output.h pack.h pair.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_fs.h pair_gran_hertzian.h pair_gran_history.h pair_gran_no_history.h pair_hybrid.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_cut_fast.h pair_lj_expand.h pair_lj_smooth.h pair_morse.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pppm.h pppm_tip4p.h pressure.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_class2.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_molecule.h style_poems.h style_user.h style_xtc.h system.h temp_full.h temp_partial.h temp_ramp.h temp_region.h temper.h temperature.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h
|
||||
INC = angle.h angle_charmm.h angle_class2.h angle_cosine.h angle_cosine_squared.h angle_harmonic.h angle_hybrid.h atom.h atom_vec.h atom_vec_angle.h atom_vec_atomic.h atom_vec_bond.h atom_vec_charge.h atom_vec_dpd.h atom_vec_granular.h atom_vec_hybrid.h atom_vec_molecular.h bond.h bond_class2.h bond_fene.h bond_fene_expand.h bond_harmonic.h bond_hybrid.h bond_morse.h bond_nonlinear.h bond_quartic.h comm.h compute.h compute_centro_atom.h compute_epair_atom.h compute_etotal_atom.h compute_ke_atom.h compute_pressure.h compute_rotate_dipole.h compute_rotate_gran.h compute_stress_atom.h compute_temp.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.h dihedral_class2.h dihedral_harmonic.h dihedral_helix.h dihedral_hybrid.h dihedral_multi_harmonic.h dihedral_opls.h displace_atoms.h domain.h dump.h dump_atom.h dump_bond.h dump_custom.h dump_dcd.h dump_xyz.h error.h ewald.h fft3d.h fft3d_wrap.h finish.h fix.h fix_add_force.h fix_ave_force.h fix_com.h fix_deposit.h fix_drag.h fix_efield.h fix_enforce2d.h fix_freeze.h fix_gran_diag.h fix_gravity.h fix_gyration.h fix_indent.h fix_langevin.h fix_line_force.h fix_minimize.h fix_momentum.h fix_msd.h fix_nph.h fix_npt.h fix_nve.h fix_nve_gran.h fix_nvt.h fix_orient_fcc.h fix_plane_force.h fix_pour.h fix_print.h fix_rdf.h fix_recenter.h fix_respa.h fix_rigid.h fix_set_force.h fix_shake.h fix_shear_history.h fix_spring.h fix_spring_rg.h fix_spring_self.h fix_temp_rescale.h fix_tmd.h fix_uniaxial.h fix_viscous.h fix_volume_rescale.h fix_wall_gran.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_class2.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h memory.h min.h min_cg.h min_cg_fr.h min_sd.h minimize.h modify.h neighbor.h output.h pack.h pair.h pair_buck.h pair_buck_coul_cut.h pair_buck_coul_long.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_fs.h pair_gran_hertzian.h pair_gran_history.h pair_gran_no_history.h pair_hybrid.h pair_lj_charmm_coul_charmm.h pair_lj_charmm_coul_charmm_implicit.h pair_lj_charmm_coul_long.h pair_lj_class2.h pair_lj_class2_coul_cut.h pair_lj_class2_coul_long.h pair_lj_cut.h pair_lj_cut_coul_cut.h pair_lj_cut_coul_debye.h pair_lj_cut_coul_long.h pair_lj_cut_coul_long_tip4p.h pair_lj_expand.h pair_lj_smooth.h pair_morse.h pair_soft.h pair_sw.h pair_table.h pair_tersoff.h pair_yukawa.h pointers.h pppm.h pppm_tip4p.h random_mars.h random_park.h read_data.h read_restart.h region.h region_block.h region_cylinder.h region_intersect.h region_prism.h region_sphere.h region_union.h remap.h remap_wrap.h replicate.h respa.h run.h set.h shell.h special.h style.h style_class2.h style_dpd.h style_granular.h style_kspace.h style_manybody.h style_meam.h style_molecule.h style_opt.h style_poems.h style_user.h style_xtc.h temper.h thermo.h timer.h universe.h update.h variable.h velocity.h verlet.h write_restart.h
|
||||
|
||||
OBJ = $(SRC:.cpp=.o)
|
||||
|
||||
|
|
|
|||
|
|
@ -0,0 +1,56 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AngleInclude
|
||||
#include "angle_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef AngleClass
|
||||
AngleStyle(class2,AngleClass2)
|
||||
#endif
|
||||
|
||||
#ifdef BondInclude
|
||||
#include "bond_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef BondClass
|
||||
BondStyle(class2,BondClass2)
|
||||
#endif
|
||||
|
||||
#ifdef DihedralInclude
|
||||
#include "dihedral_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef DihedralClass
|
||||
DihedralStyle(class2,DihedralClass2)
|
||||
#endif
|
||||
|
||||
#ifdef ImproperInclude
|
||||
#include "improper_class2.h"
|
||||
#endif
|
||||
|
||||
#ifdef ImproperClass
|
||||
ImproperStyle(class2,ImproperClass2)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_lj_class2.h"
|
||||
#include "pair_lj_class2_coul_cut.h"
|
||||
#include "pair_lj_class2_coul_long.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(lj/class2,PairLJClass2)
|
||||
PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut)
|
||||
PairStyle(lj/class2/coul/long,PairLJClass2CoulLong)
|
||||
#endif
|
||||
|
|
@ -0,0 +1,28 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AtomInclude
|
||||
#include "atom_vec_dpd.h"
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
AtomStyle(dpd,AtomVecDPD)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_dpd.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(dpd,PairDPD)
|
||||
#endif
|
||||
|
|
@ -0,0 +1,50 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AtomInclude
|
||||
#include "atom_vec_granular.h"
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
AtomStyle(granular,AtomVecGranular)
|
||||
# endif
|
||||
|
||||
#ifdef FixInclude
|
||||
#include "fix_freeze.h"
|
||||
#include "fix_gran_diag.h"
|
||||
#include "fix_nve_gran.h"
|
||||
#include "fix_pour.h"
|
||||
#include "fix_shear_history.h"
|
||||
#include "fix_wall_gran.h"
|
||||
#endif
|
||||
|
||||
#ifdef FixClass
|
||||
FixStyle(freeze,FixFreeze)
|
||||
FixStyle(gran/diag,FixGranDiag)
|
||||
FixStyle(nve/gran,FixNVEGran)
|
||||
FixStyle(pour,FixPour)
|
||||
FixStyle(SHEAR_HISTORY,FixShearHistory)
|
||||
FixStyle(wall/gran,FixWallGran)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_gran_hertzian.h"
|
||||
#include "pair_gran_history.h"
|
||||
#include "pair_gran_no_history.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(gran/hertzian,PairGranHertzian)
|
||||
PairStyle(gran/history,PairGranHistory)
|
||||
PairStyle(gran/no_history,PairGranNoHistory)
|
||||
#endif
|
||||
|
|
@ -0,0 +1,38 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef KSpaceInclude
|
||||
#include "ewald.h"
|
||||
#include "pppm.h"
|
||||
#include "pppm_tip4p.h"
|
||||
#endif
|
||||
|
||||
#ifdef KSpaceClass
|
||||
KSpaceStyle(ewald,Ewald)
|
||||
KSpaceStyle(pppm,PPPM)
|
||||
KSpaceStyle(pppm/tip4p,PPPMTIP4P)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_buck_coul_long.h"
|
||||
#include "pair_lj_cut_coul_long.h"
|
||||
#include "pair_lj_cut_coul_long_tip4p.h"
|
||||
#include "pair_lj_charmm_coul_long.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(buck/coul/long,PairBuckCoulLong)
|
||||
PairStyle(lj/cut/coul/long,PairLJCutCoulLong)
|
||||
PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P)
|
||||
PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong)
|
||||
#endif
|
||||
|
|
@ -0,0 +1,28 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_eam.h"
|
||||
#include "pair_eam_alloy.h"
|
||||
#include "pair_eam_fs.h"
|
||||
#include "pair_sw.h"
|
||||
#include "pair_tersoff.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(eam,PairEAM)
|
||||
PairStyle(eam/alloy,PairEAMAlloy)
|
||||
PairStyle(eam/fs,PairEAMFS)
|
||||
PairStyle(sw,PairSW)
|
||||
PairStyle(tersoff,PairTersoff)
|
||||
#endif
|
||||
|
|
@ -0,0 +1,114 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||
certain rights in this software. This software is distributed under
|
||||
the GNU General Public License.
|
||||
|
||||
See the README file in the top-level LAMMPS directory.
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#ifdef AngleInclude
|
||||
#include "angle_charmm.h"
|
||||
#include "angle_cosine.h"
|
||||
#include "angle_cosine_squared.h"
|
||||
#include "angle_harmonic.h"
|
||||
#include "angle_hybrid.h"
|
||||
#endif
|
||||
|
||||
#ifdef AngleClass
|
||||
AngleStyle(charmm,AngleCharmm)
|
||||
AngleStyle(cosine,AngleCosine)
|
||||
AngleStyle(cosine/squared,AngleCosineSquared)
|
||||
AngleStyle(harmonic,AngleHarmonic)
|
||||
AngleStyle(hybrid,AngleHybrid)
|
||||
#endif
|
||||
|
||||
#ifdef AtomInclude
|
||||
#include "atom_vec_angle.h"
|
||||
#include "atom_vec_bond.h"
|
||||
#include "atom_vec_molecular.h"
|
||||
#endif
|
||||
|
||||
#ifdef AtomClass
|
||||
AtomStyle(angle,AtomVecAngle)
|
||||
AtomStyle(bond,AtomVecBond)
|
||||
AtomStyle(molecular,AtomVecMolecular)
|
||||
#endif
|
||||
|
||||
#ifdef BondInclude
|
||||
#include "bond_fene.h"
|
||||
#include "bond_fene_expand.h"
|
||||
#include "bond_harmonic.h"
|
||||
#include "bond_hybrid.h"
|
||||
#include "bond_morse.h"
|
||||
#include "bond_nonlinear.h"
|
||||
#include "bond_quartic.h"
|
||||
#endif
|
||||
|
||||
#ifdef BondClass
|
||||
BondStyle(fene,BondFENE)
|
||||
BondStyle(fene/expand,BondFENEExpand)
|
||||
BondStyle(harmonic,BondHarmonic)
|
||||
BondStyle(hybrid,BondHybrid)
|
||||
BondStyle(morse,BondMorse)
|
||||
BondStyle(nonlinear,BondNonlinear)
|
||||
BondStyle(quartic,BondQuartic)
|
||||
#endif
|
||||
|
||||
#ifdef DihedralInclude
|
||||
#include "dihedral_charmm.h"
|
||||
#include "dihedral_harmonic.h"
|
||||
#include "dihedral_helix.h"
|
||||
#include "dihedral_hybrid.h"
|
||||
#include "dihedral_multi_harmonic.h"
|
||||
#include "dihedral_opls.h"
|
||||
#endif
|
||||
|
||||
#ifdef DihedralClass
|
||||
DihedralStyle(charmm,DihedralCharmm)
|
||||
DihedralStyle(harmonic,DihedralHarmonic)
|
||||
DihedralStyle(helix,DihedralHelix)
|
||||
DihedralStyle(hybrid,DihedralHybrid)
|
||||
DihedralStyle(multi/harmonic,DihedralMultiHarmonic)
|
||||
DihedralStyle(opls,DihedralOPLS)
|
||||
#endif
|
||||
|
||||
#ifdef DumpInclude
|
||||
#include "dump_bond.h"
|
||||
#endif
|
||||
|
||||
#ifdef DumpClass
|
||||
DumpStyle(bond,DumpBond)
|
||||
#endif
|
||||
|
||||
#ifdef FixInclude
|
||||
#endif
|
||||
|
||||
#ifdef FixClass
|
||||
#endif
|
||||
|
||||
#ifdef ImproperInclude
|
||||
#include "improper_cvff.h"
|
||||
#include "improper_harmonic.h"
|
||||
#include "improper_hybrid.h"
|
||||
#endif
|
||||
|
||||
#ifdef ImproperClass
|
||||
ImproperStyle(cvff,ImproperCvff)
|
||||
ImproperStyle(harmonic,ImproperHarmonic)
|
||||
ImproperStyle(hybrid,ImproperHybrid)
|
||||
#endif
|
||||
|
||||
#ifdef PairInclude
|
||||
#include "pair_lj_charmm_coul_charmm.h"
|
||||
#include "pair_lj_charmm_coul_charmm_implicit.h"
|
||||
#endif
|
||||
|
||||
#ifdef PairClass
|
||||
PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm)
|
||||
PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit)
|
||||
#endif
|
||||
Loading…
Reference in New Issue