Diffusion lammps 891740f4a2e0

trunk@7374 f3b2605a-c512-4ea7…
891740f4a2e0
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Authored by sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> on Dec 16 2011, 02:37.

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Details

Committed

sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>

Dec 16 2011, 02:37

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS432bb8a32320: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7372 f3b2605a-c512-4ea7…

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sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> committed rLAMMPS891740f4a2e0: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7… (authored by sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>).Dec 16 2011, 02:37

Changes (369)

				Path
	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.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.h
	M			src/KSPACE/pair_buck_coul_long.h
	M			src/KSPACE/pair_coul_long.h
	M			src/KSPACE/pair_lj_charmm_coul_long.h
	M			src/KSPACE/pair_lj_cut_coul_long.h
	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
	P			src/MANYBODY/pair_rebo.h Copied to src/neigh_bond.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.h
	M			src/MC/fix_gcmc.h
	M			src/MC/pair_dsmc.h
	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.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.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.h
	M			src/REPLICA/tad.h
	M			src/REPLICA/temper.h
	M			src/REPLICA/verlet_split.h
	M			src/SHOCK/fix_append_atoms.h
	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.h
	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.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.h
	M			src/dump_cfg.h
	M			src/dump_custom.h
	M			src/dump_dcd.h
	M			src/dump_image.h
	M			src/dump_local.h
	M			src/dump_xyz.h
	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
	M			src/fix_nph.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
	P			src/fix_nvt.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_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.h
	M			src/integrate.h
	M			src/irregular.h
	M			src/kspace.h
	M			src/lammps.h
	M			src/lattice.h
	M			src/library.h
	M			src/memory.h
	M			src/min.h
	M			src/minimize.h
	M			src/modify.h
	P			src/neigh_bond.h Copied from src/MANYBODY/pair_rebo.h
	P			src/neigh_derive.h Copied from src/fix_nvt.h
	P			src/neigh_full.h Copied from src/fix_nvt.h
	P			src/neigh_gran.h Copied from src/fix_nvt.h
	P			src/neigh_half_bin.h Copied from src/fix_nvt.h
	P			src/neigh_half_multi.h Copied from src/fix_nvt.h
	P			src/neigh_half_nsq.h Copied from src/fix_nvt.h
	P			src/neigh_respa.h Copied from src/fix_nvt.h
	M			src/neighbor.cpp
	M			src/neighbor.h
	M			src/output.h
	M			src/pair.h
	M			src/pair_born.h
	M			src/pair_born_coul_wolf.h
	M			src/pair_buck.h
	M			src/pair_buck_coul_cut.h
	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.h
	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.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.h
	M			src/pair_table.h
	M			src/pair_yukawa.h
	M			src/procmap.h
	M			src/random_mars.h
	M			src/random_park.h
	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.h
	M			src/universe.h
	M			src/update.h
	M			src/variable.h
	M			src/velocity.h
	M			src/verlet.h
	M			src/write_restart.h