| | | | Path |
|---|
| | M | | | doc/Section_errors.html |
| | M | | | doc/Section_errors.txt |
| | M | | | src/ASPHERE/compute_erotate_asphere.h |
| | M | | | src/ASPHERE/compute_temp_asphere.h |
| | M | | | src/ASPHERE/fix_nh_asphere.h |
| | M | | | src/ASPHERE/fix_nph_asphere.h |
| | M | | | src/ASPHERE/fix_npt_asphere.h |
| | M | | | src/ASPHERE/fix_nve_asphere.h |
| | M | | | src/ASPHERE/fix_nve_asphere_noforce.h |
| | M | | | src/ASPHERE/fix_nve_line.h |
| | M | | | src/ASPHERE/fix_nve_tri.h |
| | M | | | src/ASPHERE/fix_nvt_asphere.h |
| | M | | | src/ASPHERE/pair_gayberne.h |
| | M | | | src/ASPHERE/pair_line_lj.h |
| | M | | | src/ASPHERE/pair_resquared.h |
| | M | | | src/ASPHERE/pair_tri_lj.h |
| | M | | | src/CLASS2/angle_class2.h |
| | M | | | src/CLASS2/bond_class2.h |
| | M | | | src/CLASS2/dihedral_class2.h |
| | M | | | src/CLASS2/improper_class2.h |
| | M | | | src/CLASS2/pair_lj_class2.h |
| | M | | | src/CLASS2/pair_lj_class2_coul_cut.h |
| | M | | | src/CLASS2/pair_lj_class2_coul_long.cpp |
| | M | | | src/CLASS2/pair_lj_class2_coul_long.h |
| | M | | | src/COLLOID/fix_wall_colloid.h |
| | M | | | src/COLLOID/pair_colloid.h |
| | M | | | src/COLLOID/pair_yukawa_colloid.h |
| | M | | | src/DIPOLE/atom_vec_dipole.h |
| | M | | | src/DIPOLE/pair_dipole_cut.h |
| | M | | | src/FLD/pair_brownian.h |
| | M | | | src/FLD/pair_brownian_poly.h |
| | M | | | src/FLD/pair_lubricate.h |
| | M | | | src/FLD/pair_lubricateU.h |
| | M | | | src/FLD/pair_lubricateU_poly.h |
| | M | | | src/FLD/pair_lubricate_poly.h |
| | M | | | src/GPU/Install.sh |
| | M | | | src/GPU/fix_gpu.h |
| | M | | | src/GPU/pair_coul_long_gpu.h |
| | M | | | src/GPU/pair_gayberne_gpu.h |
| | M | | | src/GPU/pair_lj96_cut_gpu.h |
| | M | | | src/GPU/pair_lj_charmm_coul_long_gpu.h |
| | M | | | src/GPU/pair_lj_class2_coul_long_gpu.h |
| | M | | | src/GPU/pair_lj_class2_gpu.h |
| | M | | | src/GPU/pair_lj_cut_coul_cut_gpu.h |
| | M | | | src/GPU/pair_lj_cut_coul_long_gpu.h |
| | M | | | src/GPU/pair_lj_cut_gpu.h |
| | M | | | src/GPU/pair_lj_expand_gpu.h |
| | D | | | src/GPU/pair_lj_sdk_coul_long_gpu.cpp |
| | D | | | src/GPU/pair_lj_sdk_coul_long_gpu.h |
| | D | | | src/GPU/pair_lj_sdk_gpu.cpp |
| | D | | | src/GPU/pair_lj_sdk_gpu.h |
| | M | | | src/GPU/pair_morse_gpu.h |
| | M | | | src/GPU/pair_resquared_gpu.h |
| | M | | | src/GPU/pppm_gpu.h |
| | M | | | src/GRANULAR/fix_freeze.h |
| | M | | | src/GRANULAR/fix_pour.h |
| | M | | | src/GRANULAR/fix_wall_gran.h |
| | M | | | src/GRANULAR/pair_gran_hertz_history.h |
| | M | | | src/GRANULAR/pair_gran_hooke_history.h |
| | M | | | src/KSPACE/ewald.h |
| | M | | | src/KSPACE/fft3d.h |
| | M | | | src/KSPACE/fft3d_wrap.h |
| | M | | | src/KSPACE/pair_born_coul_long.cpp |
| | M | | | src/KSPACE/pair_born_coul_long.h |
| | M | | | src/KSPACE/pair_buck_coul_long.cpp |
| | M | | | src/KSPACE/pair_buck_coul_long.h |
| | M | | | src/KSPACE/pair_coul_long.cpp |
| | M | | | src/KSPACE/pair_coul_long.h |
| | M | | | src/KSPACE/pair_lj_charmm_coul_long.cpp |
| | M | | | src/KSPACE/pair_lj_charmm_coul_long.h |
| | M | | | src/KSPACE/pair_lj_cut_coul_long.cpp |
| | M | | | src/KSPACE/pair_lj_cut_coul_long.h |
| | M | | | src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp |
| | M | | | src/KSPACE/pair_lj_cut_coul_long_tip4p.h |
| | M | | | src/KSPACE/pppm.h |
| | M | | | src/KSPACE/pppm_cg.h |
| | M | | | src/KSPACE/pppm_tip4p.h |
| | M | | | src/KSPACE/remap_wrap.h |
| | M | | | src/MANYBODY/fix_qeq_comb.h |
| | M | | | src/MANYBODY/pair_adp.h |
| | M | | | src/MANYBODY/pair_airebo.h |
| | M | | | src/MANYBODY/pair_comb.h |
| | M | | | src/MANYBODY/pair_eam.h |
| | M | | | src/MANYBODY/pair_eam_alloy.h |
| | M | | | src/MANYBODY/pair_eam_fs.h |
| | M | | | src/MANYBODY/pair_eim.h |
| | M | | | src/MANYBODY/pair_rebo.h |
| | M | | | src/MANYBODY/pair_sw.h |
| | M | | | src/MANYBODY/pair_tersoff.h |
| | M | | | src/MANYBODY/pair_tersoff_zbl.h |
| | M | | | src/MC/fix_bond_break.h |
| | M | | | src/MC/fix_bond_create.h |
| | M | | | src/MC/fix_bond_swap.cpp |
| | M | | | src/MC/fix_bond_swap.h |
| | M | | | src/MC/fix_gcmc.h |
| | M | | | src/MC/pair_dsmc.h |
| | M | | | src/MEAM/pair_meam.cpp |
| | M | | | src/MEAM/pair_meam.h |
| | M | | | src/MOLECULE/angle_charmm.h |
| | M | | | src/MOLECULE/angle_cosine.h |
| | M | | | src/MOLECULE/angle_cosine_delta.h |
| | M | | | src/MOLECULE/angle_cosine_periodic.h |
| | M | | | src/MOLECULE/angle_cosine_squared.h |
| | M | | | src/MOLECULE/angle_harmonic.h |
| | M | | | src/MOLECULE/angle_hybrid.h |
| | M | | | src/MOLECULE/angle_table.h |
| | M | | | src/MOLECULE/atom_vec_angle.h |
| | M | | | src/MOLECULE/atom_vec_bond.h |
| | M | | | src/MOLECULE/atom_vec_full.h |
| | M | | | src/MOLECULE/atom_vec_molecular.h |
| | M | | | src/MOLECULE/bond_fene.h |
| | M | | | src/MOLECULE/bond_fene_expand.h |
| | M | | | src/MOLECULE/bond_harmonic.h |
| | M | | | src/MOLECULE/bond_morse.h |
| | M | | | src/MOLECULE/bond_nonlinear.h |
| | M | | | src/MOLECULE/bond_quartic.h |
| | M | | | src/MOLECULE/bond_table.h |
| | M | | | src/MOLECULE/dihedral_charmm.h |
| | M | | | src/MOLECULE/dihedral_harmonic.h |
| | M | | | src/MOLECULE/dihedral_helix.h |
| | M | | | src/MOLECULE/dihedral_hybrid.h |
| | M | | | src/MOLECULE/dihedral_multi_harmonic.h |
| | M | | | src/MOLECULE/dihedral_opls.h |
| | M | | | src/MOLECULE/improper_cvff.h |
| | M | | | src/MOLECULE/improper_harmonic.h |
| | M | | | src/MOLECULE/improper_hybrid.h |
| | M | | | src/MOLECULE/improper_umbrella.h |
| | M | | | src/MOLECULE/pair_hbond_dreiding_lj.h |
| | M | | | src/MOLECULE/pair_hbond_dreiding_morse.h |
| | M | | | src/MOLECULE/pair_lj_charmm_coul_charmm.cpp |
| | M | | | src/MOLECULE/pair_lj_charmm_coul_charmm.h |
| | M | | | src/OPT/pair_lj_cut_coul_long_tip4p_opt.h |
| | M | | | src/PERI/atom_vec_peri.h |
| | M | | | src/PERI/compute_damage_atom.h |
| | M | | | src/PERI/fix_peri_neigh.h |
| | M | | | src/PERI/pair_peri_lps.h |
| | M | | | src/PERI/pair_peri_pmb.h |
| | M | | | src/POEMS/fix_poems.h |
| | M | | | src/REAX/fix_reax_bonds.h |
| | M | | | src/REAX/pair_reax.h |
| | M | | | src/REPLICA/compute_event_displace.cpp |
| | M | | | src/REPLICA/compute_event_displace.h |
| | M | | | src/REPLICA/fix_event.h |
| | M | | | src/REPLICA/fix_event_prd.h |
| | M | | | src/REPLICA/fix_event_tad.h |
| | M | | | src/REPLICA/fix_neb.h |
| | M | | | src/REPLICA/neb.h |
| | M | | | src/REPLICA/prd.cpp |
| | M | | | src/REPLICA/prd.h |
| | M | | | src/REPLICA/tad.cpp |
| | M | | | src/REPLICA/tad.h |
| | M | | | src/REPLICA/temper.h |
| | M | | | src/REPLICA/verlet_split.cpp |
| | M | | | src/REPLICA/verlet_split.h |
| | M | | | src/SHOCK/fix_append_atoms.cpp |
| | M | | | src/SHOCK/fix_append_atoms.h |
| | M | | | src/SHOCK/fix_msst.cpp |
| | M | | | src/SHOCK/fix_msst.h |
| | M | | | src/SHOCK/fix_nphug.h |
| | M | | | src/SHOCK/fix_wall_piston.h |
| | M | | | src/SRD/fix_srd.h |
| | M | | | src/SRD/fix_wall_srd.h |
| | M | | | src/XTC/dump_xtc.h |
| | M | | | src/angle.h |
| | M | | | src/atom.h |
| | M | | | src/atom_vec.h |
| | M | | | src/atom_vec_atomic.h |
| | M | | | src/atom_vec_charge.h |
| | M | | | src/atom_vec_ellipsoid.h |
| | M | | | src/atom_vec_hybrid.h |
| | M | | | src/atom_vec_line.h |
| | M | | | src/atom_vec_sphere.h |
| | M | | | src/atom_vec_tri.h |
| | M | | | src/bond.h |
| | M | | | src/bond_hybrid.h |
| | M | | | src/change_box.h |
| | M | | | src/comm.cpp |
| | M | | | src/comm.h |
| | M | | | src/compute.cpp |
| | M | | | src/compute.h |
| | M | | | src/compute_angle_local.h |
| | M | | | src/compute_atom_molecule.h |
| | M | | | src/compute_bond_local.h |
| | M | | | src/compute_centro_atom.h |
| | M | | | src/compute_cluster_atom.h |
| | M | | | src/compute_cna_atom.h |
| | M | | | src/compute_com.h |
| | M | | | src/compute_com_molecule.h |
| | M | | | src/compute_coord_atom.h |
| | M | | | src/compute_dihedral_local.h |
| | M | | | src/compute_displace_atom.h |
| | M | | | src/compute_erotate_sphere.h |
| | M | | | src/compute_group_group.h |
| | M | | | src/compute_gyration.h |
| | M | | | src/compute_gyration_molecule.h |
| | M | | | src/compute_heat_flux.h |
| | M | | | src/compute_improper_local.h |
| | M | | | src/compute_ke.h |
| | M | | | src/compute_ke_atom.h |
| | M | | | src/compute_msd.h |
| | M | | | src/compute_msd_molecule.h |
| | M | | | src/compute_pair.h |
| | M | | | src/compute_pair_local.h |
| | M | | | src/compute_pe.h |
| | M | | | src/compute_pe_atom.h |
| | M | | | src/compute_pressure.cpp |
| | M | | | src/compute_pressure.h |
| | M | | | src/compute_property_atom.h |
| | M | | | src/compute_property_local.h |
| | M | | | src/compute_property_molecule.h |
| | M | | | src/compute_rdf.h |
| | M | | | src/compute_reduce.h |
| | M | | | src/compute_reduce_region.h |
| | M | | | src/compute_slice.h |
| | M | | | src/compute_stress_atom.h |
| | M | | | src/compute_temp.h |
| | M | | | src/compute_temp_com.h |
| | M | | | src/compute_temp_deform.h |
| | M | | | src/compute_temp_partial.h |
| | M | | | src/compute_temp_profile.h |
| | M | | | src/compute_temp_ramp.h |
| | M | | | src/compute_temp_region.h |
| | M | | | src/compute_temp_sphere.h |
| | M | | | src/compute_ti.h |
| | M | | | src/create_atoms.h |
| | M | | | src/create_box.h |
| | M | | | src/delete_atoms.h |
| | M | | | src/delete_bonds.h |
| | M | | | src/dihedral.h |
| | M | | | src/displace_atoms.h |
| | M | | | src/displace_box.h |
| | M | | | src/domain.h |
| | M | | | src/dump.h |
| | M | | | src/dump_atom.cpp |
| | M | | | src/dump_atom.h |
| | M | | | src/dump_cfg.h |
| | M | | | src/dump_custom.h |
| | M | | | src/dump_dcd.h |
| | M | | | src/dump_image.cpp |
| | M | | | src/dump_image.h |
| | M | | | src/dump_local.cpp |
| | M | | | src/dump_local.h |
| | M | | | src/dump_xyz.h |
| | M | | | src/error.cpp |
| | M | | | src/error.h |
| | M | | | src/finish.h |
| | M | | | src/fix.h |
| | M | | | src/fix_adapt.h |
| | M | | | src/fix_addforce.h |
| | M | | | src/fix_ave_atom.h |
| | M | | | src/fix_ave_correlate.h |
| | M | | | src/fix_ave_histo.h |
| | M | | | src/fix_ave_spatial.h |
| | M | | | src/fix_ave_time.h |
| | M | | | src/fix_aveforce.h |
| | M | | | src/fix_box_relax.h |
| | M | | | src/fix_deform.h |
| | M | | | src/fix_deposit.h |
| | M | | | src/fix_drag.h |
| | M | | | src/fix_dt_reset.h |
| | M | | | src/fix_efield.h |
| | M | | | src/fix_enforce2d.h |
| | M | | | src/fix_evaporate.h |
| | M | | | src/fix_external.h |
| | M | | | src/fix_gravity.h |
| | M | | | src/fix_heat.h |
| | M | | | src/fix_indent.h |
| | M | | | src/fix_langevin.h |
| | M | | | src/fix_lineforce.h |
| | M | | | src/fix_minimize.h |
| | M | | | src/fix_momentum.h |
| | M | | | src/fix_move.h |
| | M | | | src/fix_nh.h |
| | M | | | src/fix_nh_sphere.h |
| | P | | | src/fix_nph.h Copied to multiple locations:
src/neigh_derive.h
src/neigh_full.h
src/neigh_gran.h
src/neigh_half_bin.h
src/neigh_half_multi.h
src/neigh_half_nsq.h
src/neigh_respa.h |
| | M | | | src/fix_nph_sphere.h |
| | M | | | src/fix_npt.h |
| | M | | | src/fix_npt_sphere.h |
| | M | | | src/fix_nve.h |
| | M | | | src/fix_nve_limit.h |
| | M | | | src/fix_nve_noforce.h |
| | M | | | src/fix_nve_sphere.h |
| | M | | | src/fix_nvt.h |
| | M | | | src/fix_nvt_sllod.h |
| | M | | | src/fix_nvt_sphere.h |
| | M | | | src/fix_orient_fcc.h |
| | M | | | src/fix_planeforce.h |
| | M | | | src/fix_press_berendsen.h |
| | M | | | src/fix_print.h |
| | M | | | src/fix_read_restart.h |
| | M | | | src/fix_recenter.h |
| | M | | | src/fix_respa.h |
| | M | | | src/fix_restrain.h |
| | M | | | src/fix_rigid.h |
| | M | | | src/fix_rigid_nve.h |
| | M | | | src/fix_rigid_nvt.h |
| | M | | | src/fix_setforce.h |
| | M | | | src/fix_shake.h |
| | M | | | src/fix_shear_history.h |
| | M | | | src/fix_spring.h |
| | M | | | src/fix_spring_rg.h |
| | M | | | src/fix_spring_self.h |
| | M | | | src/fix_store_force.h |
| | M | | | src/fix_store_state.h |
| | M | | | src/fix_temp_berendsen.h |
| | M | | | src/fix_temp_rescale.h |
| | M | | | src/fix_thermal_conductivity.h |
| | M | | | src/fix_tmd.h |
| | M | | | src/fix_ttm.h |
| | M | | | src/fix_viscosity.h |
| | M | | | src/fix_viscous.h |
| | M | | | src/fix_wall.h |
| | M | | | src/fix_wall_harmonic.h |
| | M | | | src/fix_wall_lj126.h |
| | M | | | src/fix_wall_lj93.h |
| | M | | | src/fix_wall_reflect.h |
| | M | | | src/fix_wall_region.h |
| | M | | | src/force.h |
| | M | | | src/group.h |
| | M | | | src/improper.h |
| | M | | | src/input.cpp |
| | M | | | src/input.h |
| | M | | | src/integrate.h |
| | M | | | src/irregular.h |
| | M | | | src/kspace.cpp |
| | M | | | src/kspace.h |
| | M | | | src/lammps.h |
| | M | | | src/lattice.h |
| | M | | | src/library.h |
| | M | | | src/memory.h |
| | M | | | src/min.cpp |
| | M | | | src/min.h |
| | M | | | src/minimize.h |
| | M | | | src/modify.cpp |
| | M | | | src/modify.h |
| | A | | | src/neigh_bond.h |
| | P | | | src/neigh_derive.h Copied from src/fix_nph.h |
| | P | | | src/neigh_full.h Copied from src/fix_nph.h |
| | P | | | src/neigh_gran.h Copied from src/fix_nph.h |
| | P | | | src/neigh_half_bin.h Copied from src/fix_nph.h |
| | P | | | src/neigh_half_multi.h Copied from src/fix_nph.h |
| | P | | | src/neigh_half_nsq.h Copied from src/fix_nph.h |
| | P | | | src/neigh_respa.h Copied from src/fix_nph.h |
| | M | | | src/neighbor.cpp |
| | M | | | src/neighbor.h |
| | M | | | src/output.h |
| | M | | | src/pair.h |
| | M | | | src/pair_born.cpp |
| | M | | | src/pair_born.h |
| | M | | | src/pair_born_coul_wolf.h |
| | M | | | src/pair_buck.cpp |
| | M | | | src/pair_buck.h |
| | M | | | src/pair_buck_coul_cut.h |
| | M | | | src/pair_coul_cut.cpp |
| | M | | | src/pair_coul_cut.h |
| | M | | | src/pair_coul_debye.h |
| | M | | | src/pair_coul_wolf.h |
| | M | | | src/pair_dpd.h |
| | M | | | src/pair_dpd_tstat.h |
| | M | | | src/pair_gauss.cpp |
| | M | | | src/pair_gauss.h |
| | M | | | src/pair_hybrid.cpp |
| | M | | | src/pair_hybrid.h |
| | M | | | src/pair_hybrid_overlay.h |
| | M | | | src/pair_lj96_cut.h |
| | M | | | src/pair_lj_cubic.h |
| | M | | | src/pair_lj_cut.cpp |
| | M | | | src/pair_lj_cut.h |
| | M | | | src/pair_lj_cut_coul_cut.h |
| | M | | | src/pair_lj_cut_coul_debye.h |
| | M | | | src/pair_lj_expand.h |
| | M | | | src/pair_lj_gromacs.h |
| | M | | | src/pair_lj_gromacs_coul_gromacs.h |
| | M | | | src/pair_lj_smooth.h |
| | M | | | src/pair_morse.h |
| | M | | | src/pair_soft.cpp |
| | M | | | src/pair_soft.h |
| | M | | | src/pair_table.cpp |
| | M | | | src/pair_table.h |
| | M | | | src/pair_yukawa.h |
| | M | | | src/procmap.cpp |
| | M | | | src/procmap.h |
| | M | | | src/random_mars.h |
| | M | | | src/random_park.h |
| | M | | | src/read_data.cpp |
| | M | | | src/read_data.h |
| | M | | | src/read_restart.h |
| | M | | | src/region.h |
| | M | | | src/region_block.h |
| | M | | | src/region_cone.h |
| | M | | | src/region_cylinder.h |
| | M | | | src/region_intersect.h |
| | M | | | src/region_plane.h |
| | M | | | src/region_prism.h |
| | M | | | src/region_sphere.h |
| | M | | | src/region_union.h |
| | M | | | src/replicate.h |
| | M | | | src/respa.h |
| | M | | | src/run.h |
| | M | | | src/set.h |
| | M | | | src/special.h |
| | M | | | src/thermo.cpp |
| | M | | | src/thermo.h |
| | M | | | src/universe.h |
| | M | | | src/update.h |
| | M | | | src/variable.h |
| | M | | | src/velocity.cpp |
| | M | | | src/velocity.h |
| | M | | | src/verlet.h |
| | M | | | src/version.h |
| | M | | | src/write_restart.h |