| | | | Path |
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| M | | | src/.gitignore |
| M | | | src/ASPHERE/compute_temp_asphere.cpp |
| M | | | src/ASPHERE/compute_temp_asphere.h |
| M | | | src/ASPHERE/fix_npt_asphere.cpp |
| M | | | src/ASPHERE/fix_npt_asphere.h |
| M | | | src/ASPHERE/fix_nve_asphere.cpp |
| M | | | src/ASPHERE/fix_nve_asphere.h |
| M | | | src/ASPHERE/fix_nve_asphere_noforce.h |
| M | | | src/ASPHERE/fix_nvt_asphere.cpp |
| M | | | src/ASPHERE/fix_nvt_asphere.h |
| M | | | src/ASPHERE/pair_gayberne.cpp |
| M | | | src/ASPHERE/pair_gayberne.h |
| M | | | src/ASPHERE/pair_resquared.cpp |
| M | | | src/ASPHERE/pair_resquared.h |
| M | | | src/BODY/compute_temp_body.cpp |
| M | | | src/BODY/compute_temp_body.h |
| M | | | src/BODY/fix_npt_body.cpp |
| M | | | src/BODY/fix_npt_body.h |
| M | | | src/BODY/fix_nvt_body.cpp |
| M | | | src/BODY/fix_nvt_body.h |
| M | | | src/COLLOID/pair_brownian.cpp |
| M | | | src/COLLOID/pair_lubricate.cpp |
| M | | | src/DIPOLE/pair_lj_cut_dipole_cut.cpp |
| M | | | src/DIPOLE/pair_lj_cut_dipole_cut.h |
| M | | | src/DIPOLE/pair_lj_cut_dipole_long.cpp |
| M | | | src/DIPOLE/pair_lj_cut_dipole_long.h |
| M | | | src/DIPOLE/pair_lj_long_dipole_long.cpp |
| M | | | src/DIPOLE/pair_lj_long_dipole_long.h |
| M | | | src/GPU/pair_lj_cut_dipole_cut_gpu.cpp |
| M | | | src/GPU/pair_lj_cut_dipole_cut_gpu.h |
| M | | | src/GPU/pair_lj_sf_dipole_sf_gpu.cpp |
| M | | | src/GPU/pair_lj_sf_dipole_sf_gpu.h |
| M | | | src/KOKKOS/angle_charmm_kokkos.cpp |
| M | | | src/KOKKOS/angle_charmm_kokkos.h |
| M | | | src/KOKKOS/angle_harmonic_kokkos.cpp |
| M | | | src/KOKKOS/angle_harmonic_kokkos.h |
| M | | | src/KOKKOS/bond_fene_kokkos.cpp |
| M | | | src/KOKKOS/bond_fene_kokkos.h |
| M | | | src/KOKKOS/bond_harmonic_kokkos.cpp |
| M | | | src/KOKKOS/bond_harmonic_kokkos.h |
| M | | | src/KOKKOS/compute_temp_kokkos.cpp |
| M | | | src/KOKKOS/compute_temp_kokkos.h |
| M | | | src/KOKKOS/dihedral_charmm_kokkos.cpp |
| M | | | src/KOKKOS/dihedral_charmm_kokkos.h |
| M | | | src/KOKKOS/dihedral_opls_kokkos.cpp |
| M | | | src/KOKKOS/dihedral_opls_kokkos.h |
| M | | | src/KOKKOS/fix_deform_kokkos.cpp |
| M | | | src/KOKKOS/fix_deform_kokkos.h |
| M | | | src/KOKKOS/fix_nh_kokkos.cpp |
| M | | | src/KOKKOS/fix_nh_kokkos.h |
| M | | | src/KOKKOS/fix_nph_kokkos.cpp |
| M | | | src/KOKKOS/fix_nph_kokkos.h |
| M | | | src/KOKKOS/fix_npt_kokkos.cpp |
| M | | | src/KOKKOS/fix_npt_kokkos.h |
| M | | | src/KOKKOS/fix_nvt_kokkos.cpp |
| M | | | src/KOKKOS/fix_nvt_kokkos.h |
| M | | | src/KOKKOS/fix_setforce_kokkos.cpp |
| M | | | src/KOKKOS/fix_setforce_kokkos.h |
| M | | | src/KOKKOS/fix_wall_reflect_kokkos.cpp |
| M | | | src/KOKKOS/fix_wall_reflect_kokkos.h |
| M | | | src/KOKKOS/improper_harmonic_kokkos.cpp |
| M | | | src/KOKKOS/improper_harmonic_kokkos.h |
| M | | | src/KOKKOS/neigh_bond_kokkos.cpp |
| M | | | src/KOKKOS/neigh_bond_kokkos.h |
| M | | | src/KOKKOS/pair_buck_kokkos.cpp |
| M | | | src/KOKKOS/pair_buck_kokkos.h |
| M | | | src/KOKKOS/pair_coul_dsf_kokkos.cpp |
| M | | | src/KOKKOS/pair_coul_dsf_kokkos.h |
| M | | | src/KOKKOS/pair_coul_wolf_kokkos.cpp |
| M | | | src/KOKKOS/pair_coul_wolf_kokkos.h |
| M | | | src/KOKKOS/pair_eam_alloy_kokkos.cpp |
| M | | | src/KOKKOS/pair_eam_alloy_kokkos.h |
| M | | | src/KOKKOS/pair_eam_fs_kokkos.cpp |
| M | | | src/KOKKOS/pair_eam_fs_kokkos.h |
| M | | | src/KOKKOS/pair_eam_kokkos.cpp |
| M | | | src/KOKKOS/pair_eam_kokkos.h |
| M | | | src/KOKKOS/pair_sw_kokkos.cpp |
| M | | | src/KOKKOS/pair_sw_kokkos.h |
| M | | | src/KOKKOS/pair_tersoff_kokkos.cpp |
| M | | | src/KOKKOS/pair_tersoff_kokkos.h |
| M | | | src/KOKKOS/pair_tersoff_mod_kokkos.cpp |
| M | | | src/KOKKOS/pair_tersoff_mod_kokkos.h |
| M | | | src/KOKKOS/pair_tersoff_zbl_kokkos.cpp |
| M | | | src/KOKKOS/pair_tersoff_zbl_kokkos.h |
| M | | | src/KOKKOS/region_block_kokkos.cpp |
| M | | | src/KOKKOS/region_block_kokkos.h |
| M | | | src/KSPACE/pair_lj_long_tip4p_long.cpp |
| M | | | src/KSPACE/pair_lj_long_tip4p_long.h |
| M | | | src/KSPACE/pppm_disp.cpp |
| M | | | src/KSPACE/pppm_disp.h |
| M | | | src/KSPACE/pppm_disp_tip4p.cpp |
| M | | | src/KSPACE/pppm_disp_tip4p.h |
| M | | | src/KSPACE/pppm_stagger.cpp |
| M | | | src/KSPACE/pppm_stagger.h |
| M | | | src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi |
| M | | | src/MAKE/OPTIONS/Makefile.intel_cpu_mpich |
| M | | | src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi |
| M | | | src/MAKE/OPTIONS/Makefile.knl |
| M | | | src/MANYBODY/pair_polymorphic.cpp |
| M | | | src/MANYBODY/pair_polymorphic.h |
| M | | | src/MANYBODY/pair_sw.cpp |
| M | | | src/MANYBODY/pair_sw.h |
| M | | | src/MANYBODY/pair_tersoff.cpp |
| M | | | src/MANYBODY/pair_tersoff.h |
| M | | | src/MANYBODY/pair_tersoff_zbl.h |
| M | | | src/MANYBODY/pair_vashishta.cpp |
| M | | | src/MANYBODY/pair_vashishta.h |
| M | | | src/MC/fix_bond_break.cpp |
| M | | | src/MC/fix_bond_break.h |
| M | | | src/MC/fix_bond_create.cpp |
| M | | | src/MC/fix_bond_create.h |
| M | | | src/MC/fix_tfmc.cpp |
| M | | | src/MC/fix_tfmc.h |
| M | | | src/MOLECULE/bond_quartic.cpp |
| M | | | src/Makefile |
| M | | | src/PERI/atom_vec_peri.h |
| M | | | src/SHOCK/fix_append_atoms.h |
| M | | | src/USER-INTEL/bond_fene_intel.cpp |
| M | | | src/USER-INTEL/bond_fene_intel.h |
| M | | | src/USER-INTEL/fix_nve_asphere_intel.cpp |
| M | | | src/USER-INTEL/fix_nve_asphere_intel.h |
| M | | | src/USER-INTEL/pair_sw_intel.cpp |
| M | | | src/USER-INTEL/pair_sw_intel.h |
| M | | | src/USER-LB/README |
| M | | | src/USER-LB/fix_lb_fluid.cpp |
| M | | | src/USER-LB/fix_lb_fluid.h |
| M | | | src/USER-LB/fix_lb_momentum.cpp |
| M | | | src/USER-LB/fix_lb_momentum.h |
| M | | | src/USER-LB/fix_lb_pc.cpp |
| M | | | src/USER-LB/fix_lb_pc.h |
| M | | | src/USER-LB/fix_lb_rigid_pc_sphere.cpp |
| M | | | src/USER-LB/fix_lb_rigid_pc_sphere.h |
| M | | | src/USER-LB/fix_lb_viscous.cpp |
| M | | | src/USER-LB/fix_lb_viscous.h |
| M | | | src/USER-MISC/fix_ti_rs.cpp |
| M | | | src/USER-MISC/fix_ti_rs.h |
| M | | | src/USER-MISC/fix_ti_spring.cpp |
| M | | | src/USER-MISC/fix_ti_spring.h |
| M | | | src/USER-MISC/fix_ttm_mod.cpp |
| M | | | src/USER-MISC/pair_edip.cpp |
| M | | | src/USER-MISC/pair_edip.h |
| M | | | src/USER-MISC/pair_lj_sf_dipole_sf.cpp |
| M | | | src/USER-MISC/pair_lj_sf_dipole_sf.h |
| M | | | src/USER-OMP/msm_omp.cpp |
| M | | | src/USER-OMP/msm_omp.h |
| M | | | src/USER-OMP/pair_born_coul_msm_omp.cpp |
| M | | | src/USER-OMP/pair_born_coul_msm_omp.h |
| M | | | src/USER-OMP/pair_buck_coul_msm_omp.cpp |
| M | | | src/USER-OMP/pair_buck_coul_msm_omp.h |
| M | | | src/USER-OMP/pair_coul_msm_omp.cpp |
| M | | | src/USER-OMP/pair_coul_msm_omp.h |
| M | | | src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp |
| M | | | src/USER-OMP/pair_lj_charmm_coul_msm_omp.h |
| M | | | src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp |
| M | | | src/USER-OMP/pair_lj_cut_coul_msm_omp.h |
| M | | | src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp |
| M | | | src/USER-OMP/pair_lj_cut_dipole_cut_omp.h |
| M | | | src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp |
| M | | | src/USER-OMP/pair_lj_sf_dipole_sf_omp.h |
| M | | | src/atom_vec_ellipsoid.cpp |
| M | | | src/atom_vec_ellipsoid.h |
| M | | | src/compute_pe_atom.cpp |
| M | | | src/compute_pe_atom.h |
| M | | | src/compute_vacf.cpp |
| M | | | src/compute_vacf.h |
| M | | | src/dump_cfg.cpp |
| M | | | src/dump_cfg.h |
| M | | | src/fix_controller.h |
| M | | | src/fix_shear_history.cpp |
| M | | | src/math_extra.h |