LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. diff --git a/doc/Manual.pdf b/doc/Manual.pdf index 63843cc2d9..7e05fdf08a 100644 Binary files a/doc/Manual.pdf and b/doc/Manual.pdf differ diff --git a/doc/Manual.txt b/doc/Manual.txt index 05641a1b67..63b08660d4 100644 --- a/doc/Manual.txt +++ b/doc/Manual.txt @@ -10,7 +10,7 @@ LAMMPS Documentation :c,h3 -(22 June 2007 version of LAMMPS) :c +(22 Jun 2007 version of LAMMPS) :c LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. diff --git a/src/Makefile.lib b/src/Makefile.lib index 8a853a5129..2ebee6b8fc 100644 --- a/src/Makefile.lib +++ b/src/Makefile.lib @@ -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_dipole.cpp atom_vec_dpd.cpp atom_vec_ellipsoid.cpp atom_vec_full.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_coord_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_asphere.cpp compute_temp_deform.cpp compute_temp_dipole.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_variable.cpp compute_variable_atom.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_ave_spatial.cpp fix_ave_time.cpp fix_com.cpp fix_deform.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_heat.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_npt_asphere.cpp fix_nve.cpp fix_nve_asphere.cpp fix_nve_dipole.cpp fix_nve_gran.cpp fix_nve_noforce.cpp fix_nvt.cpp fix_nvt_asphere.cpp fix_nvt_sllod.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_poems.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_viscous.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 neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_colloid.cpp pair_dipole_cut.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_alloy_opt.cpp pair_eam_fs.cpp pair_eam_fs_opt.cpp pair_eam_opt.cpp pair_gayberne.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_charmm_coul_long_opt.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_opt.cpp pair_lj_expand.cpp pair_lj_smooth.cpp pair_meam.cpp pair_morse.cpp pair_morse_opt.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_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_full.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.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_coord_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_deform.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_variable.cpp compute_variable_atom.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.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_ave_spatial.cpp fix_ave_time.cpp fix_com.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_efield.cpp fix_enforce2d.cpp fix_gravity.cpp fix_gyration.cpp fix_heat.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_noforce.cpp fix_nvt.cpp fix_nvt_sllod.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_temp_rescale.cpp fix_tmd.cpp fix_viscous.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.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 neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.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_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_dipole.h atom_vec_dpd.h atom_vec_ellipsoid.h atom_vec_full.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_coord_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_asphere.h compute_temp_deform.h compute_temp_dipole.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_variable.h compute_variable_atom.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_ave_spatial.h fix_ave_time.h fix_com.h fix_deform.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_heat.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_npt_asphere.h fix_nve.h fix_nve_asphere.h fix_nve_dipole.h fix_nve_gran.h fix_nve_noforce.h fix_nvt.h fix_nvt_asphere.h fix_nvt_sllod.h fix_orient_fcc.h fix_plane_force.h fix_poems.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_viscous.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 math_extra.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_colloid.h pair_dipole_cut.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_alloy_opt.h pair_eam_fs.h pair_eam_fs_opt.h pair_eam_opt.h pair_gayberne.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_charmm_coul_long_opt.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_opt.h pair_lj_expand.h pair_lj_smooth.h pair_meam.h pair_morse.h pair_morse_opt.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_asphere.h style_class2.h style_colloid.h style_dipole.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 +INC = angle.h angle_charmm.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_full.h atom_vec_hybrid.h atom_vec_molecular.h bond.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_coord_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_deform.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_variable.h compute_variable_atom.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.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_ave_spatial.h fix_ave_time.h fix_com.h fix_deform.h fix_deposit.h fix_drag.h fix_efield.h fix_enforce2d.h fix_gravity.h fix_gyration.h fix_heat.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_noforce.h fix_nvt.h fix_nvt_sllod.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_temp_rescale.h fix_tmd.h fix_viscous.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h math_extra.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_eam.h pair_eam_alloy.h pair_eam_fs.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_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_asphere.h style_class2.h style_colloid.h style_dipole.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) diff --git a/src/Makefile.list b/src/Makefile.list index 4e0e437b0d..37ded29aa2 100644 --- a/src/Makefile.list +++ b/src/Makefile.list @@ -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_vec.cpp atom_vec_angle.cpp atom_vec_atomic.cpp atom_vec_bond.cpp atom_vec_charge.cpp atom_vec_dipole.cpp atom_vec_dpd.cpp atom_vec_ellipsoid.cpp atom_vec_full.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_coord_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_asphere.cpp compute_temp_deform.cpp compute_temp_dipole.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_variable.cpp compute_variable_atom.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_ave_spatial.cpp fix_ave_time.cpp fix_com.cpp fix_deform.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_heat.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_npt_asphere.cpp fix_nve.cpp fix_nve_asphere.cpp fix_nve_dipole.cpp fix_nve_gran.cpp fix_nve_noforce.cpp fix_nvt.cpp fix_nvt_asphere.cpp fix_nvt_sllod.cpp fix_orient_fcc.cpp fix_plane_force.cpp fix_poems.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_viscous.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 neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_colloid.cpp pair_dipole_cut.cpp pair_dpd.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_alloy_opt.cpp pair_eam_fs.cpp pair_eam_fs_opt.cpp pair_eam_opt.cpp pair_gayberne.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_charmm_coul_long_opt.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_opt.cpp pair_lj_expand.cpp pair_lj_smooth.cpp pair_meam.cpp pair_morse.cpp pair_morse_opt.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_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_full.cpp atom_vec_hybrid.cpp atom_vec_molecular.cpp bond.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_coord_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_deform.cpp compute_temp_partial.cpp compute_temp_ramp.cpp compute_temp_region.cpp compute_variable.cpp compute_variable_atom.cpp create_atoms.cpp create_box.cpp delete_atoms.cpp delete_bonds.cpp dihedral.cpp dihedral_charmm.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_ave_spatial.cpp fix_ave_time.cpp fix_com.cpp fix_deform.cpp fix_deposit.cpp fix_drag.cpp fix_efield.cpp fix_enforce2d.cpp fix_gravity.cpp fix_gyration.cpp fix_heat.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_noforce.cpp fix_nvt.cpp fix_nvt_sllod.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_temp_rescale.cpp fix_tmd.cpp fix_viscous.cpp fix_wall_lj126.cpp fix_wall_lj93.cpp fix_wall_reflect.cpp fix_wiggle.cpp force.cpp group.cpp improper.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 neigh_stencil.cpp neighbor.cpp output.cpp pack.cpp pair.cpp pair_buck.cpp pair_buck_coul_cut.cpp pair_buck_coul_long.cpp pair_eam.cpp pair_eam_alloy.cpp pair_eam_fs.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_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_dipole.h atom_vec_dpd.h atom_vec_ellipsoid.h atom_vec_full.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_coord_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_asphere.h compute_temp_deform.h compute_temp_dipole.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_variable.h compute_variable_atom.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_ave_spatial.h fix_ave_time.h fix_com.h fix_deform.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_heat.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_npt_asphere.h fix_nve.h fix_nve_asphere.h fix_nve_dipole.h fix_nve_gran.h fix_nve_noforce.h fix_nvt.h fix_nvt_asphere.h fix_nvt_sllod.h fix_orient_fcc.h fix_plane_force.h fix_poems.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_viscous.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 math_extra.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_colloid.h pair_dipole_cut.h pair_dpd.h pair_eam.h pair_eam_alloy.h pair_eam_alloy_opt.h pair_eam_fs.h pair_eam_fs_opt.h pair_eam_opt.h pair_gayberne.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_charmm_coul_long_opt.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_opt.h pair_lj_expand.h pair_lj_smooth.h pair_meam.h pair_morse.h pair_morse_opt.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_asphere.h style_class2.h style_colloid.h style_dipole.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 +INC = angle.h angle_charmm.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_full.h atom_vec_hybrid.h atom_vec_molecular.h bond.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_coord_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_deform.h compute_temp_partial.h compute_temp_ramp.h compute_temp_region.h compute_variable.h compute_variable_atom.h create_atoms.h create_box.h delete_atoms.h delete_bonds.h dihedral.h dihedral_charmm.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_ave_spatial.h fix_ave_time.h fix_com.h fix_deform.h fix_deposit.h fix_drag.h fix_efield.h fix_enforce2d.h fix_gravity.h fix_gyration.h fix_heat.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_noforce.h fix_nvt.h fix_nvt_sllod.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_temp_rescale.h fix_tmd.h fix_viscous.h fix_wall_lj126.h fix_wall_lj93.h fix_wall_reflect.h fix_wiggle.h force.h group.h improper.h improper_cvff.h improper_harmonic.h improper_hybrid.h input.h integrate.h kspace.h lammps.h lattice.h library.h math_extra.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_eam.h pair_eam_alloy.h pair_eam_fs.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_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_asphere.h style_class2.h style_colloid.h style_dipole.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) diff --git a/src/style_asphere.h b/src/style_asphere.h index f67f9033ee..e69de29bb2 100644 --- a/src/style_asphere.h +++ b/src/style_asphere.h @@ -1,48 +0,0 @@ -/* ---------------------------------------------------------------------- - 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_ellipsoid.h" -#endif - -#ifdef AtomClass -AtomStyle(ellipsoid,AtomVecEllipsoid) -# endif - -#ifdef ComputeInclude -#include "compute_temp_asphere.h" -#endif - -#ifdef ComputeClass -ComputeStyle(temp/asphere,ComputeTempAsphere) -#endif - -#ifdef FixInclude -#include "fix_nve_asphere.h" -#include "fix_nvt_asphere.h" -#include "fix_npt_asphere.h" -#endif - -#ifdef FixClass -FixStyle(nve/asphere,FixNVEASphere) -FixStyle(nvt/asphere,FixNVTASphere) -FixStyle(npt/asphere,FixNPTASphere) -#endif - -#ifdef PairInclude -#include "pair_gayberne.h" -#endif - -#ifdef PairClass -PairStyle(gayberne,PairGayBerne) -#endif diff --git a/src/style_class2.h b/src/style_class2.h index 3ba9b32df4..e69de29bb2 100644 --- a/src/style_class2.h +++ b/src/style_class2.h @@ -1,56 +0,0 @@ -/* ---------------------------------------------------------------------- - 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 diff --git a/src/style_colloid.h b/src/style_colloid.h index 393605e64e..e69de29bb2 100644 --- a/src/style_colloid.h +++ b/src/style_colloid.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - 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_colloid.h" -#endif - -#ifdef PairClass -PairStyle(colloid,PairColloid) -#endif diff --git a/src/style_dipole.h b/src/style_dipole.h index 7f989773f4..e69de29bb2 100644 --- a/src/style_dipole.h +++ b/src/style_dipole.h @@ -1,44 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - www.cs.sandia.gov/~sjplimp/lammps.html - Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories - - 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_dipole.h" -#endif - -#ifdef AtomClass -AtomStyle(dipole,AtomVecDipole) -#endif - -#ifdef ComputeInclude -#include "compute_temp_dipole.h" -#endif - -#ifdef ComputeClass -ComputeStyle(temp/dipole,ComputeTempDipole) -#endif - -#ifdef FixInclude -#include "fix_nve_dipole.h" -#endif - -#ifdef FixClass -FixStyle(nve/dipole,FixNVEDipole) -#endif - -#ifdef PairInclude -#include "pair_dipole_cut.h" -#endif - -#ifdef PairClass -PairStyle(dipole/cut,PairDipoleCut) -#endif diff --git a/src/style_dpd.h b/src/style_dpd.h index 8ce617c0c2..e69de29bb2 100644 --- a/src/style_dpd.h +++ b/src/style_dpd.h @@ -1,28 +0,0 @@ -/* ---------------------------------------------------------------------- - 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 diff --git a/src/style_granular.h b/src/style_granular.h index 7b0f4b6a71..e69de29bb2 100644 --- a/src/style_granular.h +++ b/src/style_granular.h @@ -1,50 +0,0 @@ -/* ---------------------------------------------------------------------- - 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 diff --git a/src/style_meam.h b/src/style_meam.h index 221a363f11..e69de29bb2 100644 --- a/src/style_meam.h +++ b/src/style_meam.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - 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_meam.h" -#endif - -#ifdef PairClass -PairStyle(meam,PairMEAM) -#endif diff --git a/src/style_opt.h b/src/style_opt.h index 061816e136..e69de29bb2 100644 --- a/src/style_opt.h +++ b/src/style_opt.h @@ -1,30 +0,0 @@ -/* ---------------------------------------------------------------------- - 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_opt.h" -#include "pair_eam_alloy_opt.h" -#include "pair_eam_fs_opt.h" -#include "pair_lj_charmm_coul_long_opt.h" -#include "pair_lj_cut_opt.h" -#include "pair_morse_opt.h" -#endif - -#ifdef PairClass -PairStyle(eam/opt,PairEAMOpt) -PairStyle(eam/alloy/opt,PairEAMAlloyOpt) -PairStyle(eam/fs/opt,PairEAMFSOpt) -PairStyle(lj/cut/opt,PairLJCutOpt) -PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) -PairStyle(morse/opt,PairMorseOpt) -#endif diff --git a/src/style_poems.h b/src/style_poems.h index 0434d02bf8..e69de29bb2 100644 --- a/src/style_poems.h +++ b/src/style_poems.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - 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 FixInclude -#include "fix_poems.h" -#endif - -#ifdef FixClass -FixStyle(poems,FixPOEMS) -#endif diff --git a/src/style_xtc.h b/src/style_xtc.h index 7110dda312..e69de29bb2 100644 --- a/src/style_xtc.h +++ b/src/style_xtc.h @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - 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 DumpInclude -#include "dump_xtc.h" -#endif - -#ifdef DumpClass -DumpStyle(xtc,DumpXTC) -#endif diff --git a/src/universe.cpp b/src/universe.cpp index 2d1a9321a5..baa1266ecf 100644 --- a/src/universe.cpp +++ b/src/universe.cpp @@ -26,7 +26,7 @@ using namespace LAMMPS_NS; Universe::Universe(LAMMPS *lmp, MPI_Comm communicator) : Pointers(lmp) { - version = "22 June 2007"; + version = "22 Jun 2007"; uworld = communicator; MPI_Comm_rank(uworld,&me); diff --git a/tools/restart2data.cpp b/tools/restart2data.cpp index 055223bb06..1cc63f4937 100644 --- a/tools/restart2data.cpp +++ b/tools/restart2data.cpp @@ -366,7 +366,7 @@ main (int argc, char **argv) void header(FILE *fp, Data &data) { - char *version = "22 June 2007"; + char *version = "22 Jun 2007"; data.triclinic = 0;