Diffusion lammps 209f169cbc4e

trunk@254 f3b2605a-c512-4ea7…
209f169cbc4e
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Authored by sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> on Jan 30 2007, 01:22.

Description

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Details

Committed

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

Jan 30 2007, 01:22

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS9cdbeaf9f245: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@253 f3b2605a-c512-4ea7…

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sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> committed rLAMMPS209f169cbc4e: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7… (authored by sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>).Jan 30 2007, 01:22

Changes (414)

				Path
	M			src/CLASS2/Install.csh
	M			src/CLASS2/angle_class2.cpp
	M			src/CLASS2/angle_class2.h
	M			src/CLASS2/bond_class2.cpp
	M			src/CLASS2/bond_class2.h
	M			src/CLASS2/dihedral_class2.cpp
	M			src/CLASS2/dihedral_class2.h
	M			src/CLASS2/improper_class2.cpp
	M			src/CLASS2/improper_class2.h
	M			src/CLASS2/pair_lj_class2.cpp
	M			src/CLASS2/pair_lj_class2.h
	M			src/CLASS2/pair_lj_class2_coul_cut.cpp
	M			src/CLASS2/pair_lj_class2_coul_cut.h
	M			src/CLASS2/pair_lj_class2_coul_long.cpp
	M			src/CLASS2/style_class2.h
	M			src/DPD/Install.csh
	D			src/DPD/atom_dpd.cpp
	D			src/DPD/atom_dpd.h
	M			src/DPD/pair_dpd.cpp
	M			src/DPD/pair_dpd.h
	M			src/DPD/style_dpd.h
	M			src/GRANULAR/Install.csh
	D			src/GRANULAR/atom_granular.cpp
	D			src/GRANULAR/atom_granular.h
	M			src/GRANULAR/fix_freeze.cpp
	M			src/GRANULAR/fix_freeze.h
	M			src/GRANULAR/fix_gran_diag.cpp
	M			src/GRANULAR/fix_gran_diag.h
	M			src/GRANULAR/fix_nve_gran.cpp
	M			src/GRANULAR/fix_nve_gran.h
	M			src/GRANULAR/fix_pour.cpp
	M			src/GRANULAR/fix_pour.h
	D			src/GRANULAR/fix_shear_history.cpp
	M			src/GRANULAR/fix_wall_gran.cpp
	M			src/GRANULAR/fix_wall_gran.h
	M			src/GRANULAR/pair_gran_hertzian.cpp
	M			src/GRANULAR/pair_gran_hertzian.h
	M			src/GRANULAR/pair_gran_history.cpp
	M			src/GRANULAR/pair_gran_history.h
	M			src/GRANULAR/pair_gran_no_history.cpp
	M			src/GRANULAR/pair_gran_no_history.h
	M			src/GRANULAR/style_granular.h
	M			src/KSPACE/Install.csh
	M			src/KSPACE/ewald.cpp
	M			src/KSPACE/ewald.h
	M			src/KSPACE/fft3d.cpp
	M			src/KSPACE/fft3d.h
	M			src/KSPACE/fft3d_wrap.cpp
	M			src/KSPACE/fft3d_wrap.h
	M			src/KSPACE/pair_buck_coul_long.cpp
	M			src/KSPACE/pair_buck_coul_long.h
	M			src/KSPACE/pair_lj_charmm_coul_long.cpp
	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.cpp
	M			src/KSPACE/pppm.h
	M			src/KSPACE/pppm_tip4p.cpp
	M			src/KSPACE/pppm_tip4p.h
	M			src/KSPACE/remap.cpp
	M			src/KSPACE/remap.h
	M			src/KSPACE/remap_wrap.cpp
	M			src/KSPACE/remap_wrap.h
	M			src/KSPACE/style_kspace.h
	M			src/MAKE/Makefile.linux
	M			src/MANYBODY/Install.csh
	M			src/MANYBODY/pair_eam.cpp
	M			src/MANYBODY/pair_eam_alloy.cpp
	M			src/MANYBODY/pair_eam_alloy.h
	M			src/MANYBODY/pair_eam_fs.cpp
	M			src/MANYBODY/pair_eam_fs.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/style_manybody.h
	M			src/MOLECULE/Install.csh
	M			src/MOLECULE/angle.cpp
	M			src/MOLECULE/angle_charmm.cpp
	M			src/MOLECULE/angle_charmm.h
	M			src/MOLECULE/angle_cosine.cpp
	M			src/MOLECULE/angle_cosine.h
	M			src/MOLECULE/angle_cosine_squared.cpp
	M			src/MOLECULE/angle_cosine_squared.h
	M			src/MOLECULE/angle_harmonic.cpp
	M			src/MOLECULE/angle_harmonic.h
	M			src/MOLECULE/angle_hybrid.cpp
	M			src/MOLECULE/angle_hybrid.h
	M			src/MOLECULE/bond.cpp
	M			src/MOLECULE/bond_fene.cpp
	M			src/MOLECULE/bond_fene.h
	M			src/MOLECULE/bond_fene_expand.cpp
	M			src/MOLECULE/bond_fene_expand.h
	M			src/MOLECULE/bond_harmonic.cpp
	M			src/MOLECULE/bond_harmonic.h
	M			src/MOLECULE/bond_hybrid.cpp
	M			src/MOLECULE/bond_morse.cpp
	M			src/MOLECULE/bond_morse.h
	M			src/MOLECULE/bond_nonlinear.cpp
	M			src/MOLECULE/bond_nonlinear.h
	M			src/MOLECULE/bond_quartic.cpp
	M			src/MOLECULE/bond_quartic.h
	M			src/MOLECULE/dihedral.cpp
	M			src/MOLECULE/dihedral_charmm.cpp
	M			src/MOLECULE/dihedral_charmm.h
	M			src/MOLECULE/dihedral_harmonic.cpp
	M			src/MOLECULE/dihedral_harmonic.h
	M			src/MOLECULE/dihedral_helix.cpp
	M			src/MOLECULE/dihedral_helix.h
	M			src/MOLECULE/dihedral_hybrid.cpp
	M			src/MOLECULE/dihedral_hybrid.h
	M			src/MOLECULE/dihedral_multi_harmonic.cpp
	M			src/MOLECULE/dihedral_multi_harmonic.h
	M			src/MOLECULE/dihedral_opls.cpp
	M			src/MOLECULE/dihedral_opls.h
	M			src/MOLECULE/dump_bond.cpp
	M			src/MOLECULE/dump_bond.h
	M			src/MOLECULE/improper.cpp
	M			src/MOLECULE/improper_cvff.cpp
	M			src/MOLECULE/improper_cvff.h
	M			src/MOLECULE/improper_harmonic.cpp
	M			src/MOLECULE/improper_harmonic.h
	M			src/MOLECULE/improper_hybrid.cpp
	M			src/MOLECULE/improper_hybrid.h
	M			src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
	M			src/MOLECULE/pair_lj_charmm_coul_charmm.h
	M			src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp
	M			src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h
	M			src/MOLECULE/style_molecule.h
	M			src/Makefile
	M			src/Makefile.lib
	M			src/POEMS/Install.csh
	M			src/POEMS/fix_poems.cpp
	M			src/POEMS/fix_poems.h
	M			src/POEMS/style_poems.h
	M			src/XTC/dump_xtc.cpp
	M			src/XTC/dump_xtc.h
	M			src/XTC/style_xtc.h
	M			src/angle.h
	M			src/atom.cpp
	M			src/atom.h
	D			src/atom_atomic.cpp
	D			src/atom_atomic.h
	D			src/atom_charge.cpp
	D			src/atom_charge.h
	D			src/atom_hybrid.cpp
	D			src/atom_hybrid.h
	M			src/bond.h
	M			src/bond_hybrid.h
	M			src/comm.cpp
	M			src/comm.h
	M			src/create_atoms.cpp
	M			src/create_atoms.h
	M			src/create_box.cpp
	M			src/create_box.h
	M			src/delete_atoms.cpp
	M			src/delete_atoms.h
	M			src/delete_bonds.cpp
	M			src/delete_bonds.h
	M			src/dihedral.h
	M			src/displace_atoms.cpp
	M			src/displace_atoms.h
	M			src/domain.cpp
	M			src/domain.h
	M			src/dump.cpp
	M			src/dump.h
	M			src/dump_atom.cpp
	M			src/dump_atom.h
	M			src/dump_custom.cpp
	M			src/dump_custom.h
	M			src/dump_dcd.cpp
	M			src/dump_dcd.h
	M			src/dump_xyz.cpp
	M			src/dump_xyz.h
	M			src/error.cpp
	M			src/error.h
	M			src/finish.cpp
	M			src/finish.h
	M			src/fix.cpp
	M			src/fix.h
	M			src/fix_add_force.cpp
	M			src/fix_add_force.h
	M			src/fix_ave_force.cpp
	M			src/fix_ave_force.h
	D			src/fix_centro.cpp
	D			src/fix_centro.h
	M			src/fix_com.cpp
	M			src/fix_com.h
	M			src/fix_deposit.cpp
	M			src/fix_deposit.h
	M			src/fix_drag.cpp
	M			src/fix_drag.h
	M			src/fix_efield.cpp
	M			src/fix_efield.h
	D			src/fix_energy.cpp
	D			src/fix_energy.h
	M			src/fix_enforce2d.cpp
	M			src/fix_enforce2d.h
	M			src/fix_gravity.cpp
	M			src/fix_gravity.h
	M			src/fix_gyration.cpp
	M			src/fix_gyration.h
	M			src/fix_indent.cpp
	M			src/fix_indent.h
	M			src/fix_langevin.cpp
	M			src/fix_langevin.h
	M			src/fix_line_force.cpp
	M			src/fix_line_force.h
	M			src/fix_minimize.cpp
	M			src/fix_minimize.h
	M			src/fix_momentum.cpp
	M			src/fix_momentum.h
	M			src/fix_msd.cpp
	M			src/fix_msd.h
	M			src/fix_nph.cpp
	M			src/fix_nph.h
	M			src/fix_npt.cpp
	M			src/fix_npt.h
	M			src/fix_nve.cpp
	M			src/fix_nve.h
	M			src/fix_nvt.cpp
	M			src/fix_nvt.h
	M			src/fix_orient_fcc.cpp
	M			src/fix_orient_fcc.h
	M			src/fix_plane_force.cpp
	M			src/fix_plane_force.h
	M			src/fix_print.cpp
	M			src/fix_print.h
	M			src/fix_rdf.cpp
	M			src/fix_rdf.h
	M			src/fix_recenter.cpp
	M			src/fix_recenter.h
	M			src/fix_respa.cpp
	M			src/fix_respa.h
	M			src/fix_rigid.cpp
	M			src/fix_rigid.h
	M			src/fix_set_force.cpp
	M			src/fix_set_force.h
	M			src/fix_shake.cpp
	M			src/fix_shake.h
	M			src/fix_shear_history.h
	M			src/fix_spring.cpp
	M			src/fix_spring.h
	M			src/fix_spring_rg.cpp
	M			src/fix_spring_rg.h
	M			src/fix_spring_self.cpp
	M			src/fix_spring_self.h
	D			src/fix_stress.cpp
	D			src/fix_stress.h
	M			src/fix_temp_rescale.cpp
	M			src/fix_temp_rescale.h
	M			src/fix_tmd.cpp
	M			src/fix_tmd.h
	M			src/fix_uniaxial.cpp
	M			src/fix_uniaxial.h
	M			src/fix_viscous.cpp
	M			src/fix_viscous.h
	M			src/fix_volume_rescale.cpp
	M			src/fix_volume_rescale.h
	M			src/fix_wall_lj126.cpp
	M			src/fix_wall_lj126.h
	M			src/fix_wall_lj93.cpp
	M			src/fix_wall_lj93.h
	M			src/fix_wall_reflect.cpp
	M			src/fix_wall_reflect.h
	M			src/fix_wiggle.cpp
	M			src/fix_wiggle.h
	M			src/force.cpp
	M			src/force.h
	M			src/group.cpp
	M			src/group.h
	M			src/improper.h
	M			src/input.cpp
	M			src/input.h
	M			src/integrate.h
	M			src/kspace.cpp
	M			src/kspace.h
	V			src/{lammps.cpp ← system.cpp}
	M			src/lammps.h
	M			src/lattice.cpp
	M			src/lattice.h
	M			src/library.cpp
	M			src/library.h
	M			src/main.cpp
	M			src/memory.cpp
	M			src/memory.h
	D			src/memory.hold.h
	M			src/min.cpp
	M			src/min.h
	M			src/min_cg.cpp
	M			src/min_cg.h
	M			src/min_cg_fr.cpp
	M			src/min_cg_fr.h
	M			src/min_sd.cpp
	M			src/min_sd.h
	M			src/minimize.cpp
	M			src/minimize.h
	M			src/modify.cpp
	M			src/modify.h
	M			src/neigh_bond.cpp
	M			src/neigh_full.cpp
	M			src/neigh_gran.cpp
	M			src/neigh_half.cpp
	M			src/neigh_respa.cpp
	M			src/neighbor.cpp
	M			src/neighbor.h
	M			src/output.cpp
	M			src/output.h
	M			src/pack.cpp
	M			src/pack.h
	M			src/pair.cpp
	M			src/pair.h
	M			src/pair_buck.cpp
	M			src/pair_buck.h
	M			src/pair_buck_coul_cut.cpp
	M			src/pair_buck_coul_cut.h
	D			src/pair_eam.h
	M			src/pair_hybrid.cpp
	M			src/pair_hybrid.h
	D			src/pair_lj_charmm_coul_long.h
	D			src/pair_lj_class2_coul_long.h
	M			src/pair_lj_cut.cpp
	M			src/pair_lj_cut.h
	M			src/pair_lj_cut_coul_cut.cpp
	M			src/pair_lj_cut_coul_cut.h
	M			src/pair_lj_cut_coul_debye.cpp
	M			src/pair_lj_cut_coul_debye.h
	M			src/pair_lj_expand.cpp
	M			src/pair_lj_expand.h
	M			src/pair_lj_smooth.cpp
	M			src/pair_lj_smooth.h
	M			src/pair_morse.cpp
	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.cpp
	M			src/pair_yukawa.h
	D			src/pressure.cpp
	D			src/pressure.h
	M			src/random_mars.cpp
	M			src/random_mars.h
	M			src/random_park.cpp
	M			src/random_park.h
	M			src/read_data.cpp
	M			src/read_data.h
	M			src/read_restart.cpp
	M			src/read_restart.h
	M			src/region.cpp
	M			src/region.h
	M			src/region_block.cpp
	M			src/region_block.h
	M			src/region_cylinder.cpp
	M			src/region_cylinder.h
	M			src/region_intersect.cpp
	M			src/region_intersect.h
	M			src/region_prism.cpp
	M			src/region_prism.h
	M			src/region_sphere.cpp
	M			src/region_sphere.h
	M			src/region_union.cpp
	M			src/region_union.h
	M			src/replicate.cpp
	M			src/replicate.h
	M			src/respa.cpp
	M			src/respa.h
	M			src/run.cpp
	M			src/run.h
	M			src/set.cpp
	M			src/set.h
	M			src/shell.cpp
	M			src/shell.h
	M			src/special.cpp
	M			src/special.h
	M			src/style.h
	M			src/style_class2.h
	M			src/style_dpd.h
	M			src/style_granular.h
	M			src/style_kspace.h
	M			src/style_manybody.h
	M			src/style_molecule.h
	M			src/style_user.h
	V			src/{system.cpp → lammps.cpp}
	D			src/system.h
	D			src/temp_full.cpp
	D			src/temp_full.h
	D			src/temp_partial.cpp
	D			src/temp_partial.h
	D			src/temp_ramp.cpp
	D			src/temp_ramp.h
	D			src/temp_region.cpp
	D			src/temp_region.h
	M			src/temper.cpp
	M			src/temper.h
	D			src/temperature.cpp
	D			src/temperature.h
	M			src/thermo.cpp
	M			src/thermo.h
	M			src/timer.cpp
	M			src/timer.h
	M			src/universe.cpp
	M			src/universe.h
	M			src/update.cpp
	M			src/update.h
	M			src/variable.cpp
	M			src/variable.h
	M			src/velocity.cpp
	M			src/velocity.h
	M			src/verlet.cpp
	M			src/verlet.h
	M			src/write_restart.cpp
	M			src/write_restart.h