Diffusion lammps 2d4225d7041f

Merge branch 'qmmm-qe' of bitbucket.org:akohlmey/lammps-icms into qmmm-qe
2d4225d7041f
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 6 2013, 11:33.

Description

Merge branch 'qmmm-qe' of bitbucket.org:akohlmey/lammps-icms into qmmm-qe

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 6 2013, 11:33

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS2823645da0fe: Merge branch 'lammps-icms' into qmmm-qe
rLAMMPS64811ea36e79: Merge branch 'lammps-icms' into qmmm-qe

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS2d4225d7041f: Merge branch 'qmmm-qe' of bitbucket.org:akohlmey/lammps-icms into qmmm-qe (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 6 2013, 11:33

Merged Changes

Commit	Author	Details	Committed
2823645da0fe	Axel Kohlmeyer	Merge branch 'lammps-icms' into qmmm-qe	Oct 5 2013
94539cb782b6	Axel Kohlmeyer	remove files added to the incorrect directory	Oct 5 2013
ac35c46950a9	Axel Kohlmeyer	add coul/dsf/omp pair styles	Oct 5 2013
4c6a5ef6f0ff	Axel Kohlmeyer	cleanup and corrections	Oct 5 2013
38952a636910	Axel Kohlmeyer	remove unused variables	Oct 5 2013
2b9713284c4b	Axel Kohlmeyer	remove excess whitespace	Oct 5 2013
d3e6c3396d67	Axel Kohlmeyer	Merge branch 'lammps-icms' into qmmm-qe	Oct 5 2013
0cc56656db65	Axel Kohlmeyer	added tersoff/omp style	Oct 5 2013
087056c03fd1	Axel Kohlmeyer	add a shell setenv command	Oct 5 2013
ba9d5d475c3e	Axel Kohlmeyer	use open_potential() instead of fopen	Oct 5 2013
515744cff24c	Axel Kohlmeyer	link recently added styles to list of pair styles	Oct 5 2013
2fed2809291b	Axel Kohlmeyer	add zbl/omp pair style	Oct 5 2013

Changes (68)

		Path
A	(dir)	bench-accel/bench_zbl/
P		bench-accel/bench_zbl/in.zbl Copied from bench-accel/bench_lj/in.lj
M		doc/Section_commands.txt
M		doc/pair_coul.txt
M		doc/pair_lj.txt
M		doc/pair_tersoff_mod.txt
M		doc/pair_zbl.txt
M		doc/shell.txt
M		src/MANYBODY/pair_tersoff_mod.cpp
M		src/MEAM/pair_meam.cpp
M		src/USER-OMP/bond_harmonic_omp.cpp
M		src/USER-OMP/bond_nonlinear_omp.cpp
M		src/USER-OMP/dihedral_fourier_omp.cpp
M		src/USER-OMP/dihedral_quadratic_omp.cpp
M		src/USER-OMP/fix_nh_asphere_omp.cpp
M		src/USER-OMP/fix_nh_sphere_omp.cpp
M		src/USER-OMP/fix_omp.cpp
M		src/USER-OMP/fix_rigid_nh_omp.cpp
M		src/USER-OMP/fix_rigid_nh_omp.h
M		src/USER-OMP/fix_rigid_nph_omp.cpp
M		src/USER-OMP/fix_rigid_nph_omp.h
M		src/USER-OMP/fix_rigid_npt_omp.cpp
M		src/USER-OMP/fix_rigid_npt_omp.h
M		src/USER-OMP/fix_rigid_nve_omp.cpp
M		src/USER-OMP/fix_rigid_nve_omp.h
M		src/USER-OMP/fix_rigid_nvt_omp.cpp
M		src/USER-OMP/fix_rigid_nvt_omp.h
M		src/USER-OMP/fix_rigid_omp.cpp
M		src/USER-OMP/fix_rigid_small_omp.cpp
M		src/USER-OMP/fix_shear_history_omp.cpp
M		src/USER-OMP/improper_fourier_omp.cpp
M		src/USER-OMP/msm_omp.cpp
M		src/USER-OMP/neigh_gran_omp.cpp
M		src/USER-OMP/pair_buck_long_coul_long_omp.cpp
P		src/USER-OMP/pair_coul_dsf_omp.cpp Copied from src/USER-OMP/pair_coul_debye_omp.cpp
P		src/USER-OMP/pair_coul_dsf_omp.h Copied from src/USER-OMP/pair_beck_omp.h
M		src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
P		src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp Copied from src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
P		src/USER-OMP/pair_lj_cut_coul_dsf_omp.h Copied from src/USER-OMP/pair_born_coul_wolf_omp.h
M		src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
M		src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
M		src/USER-OMP/pair_lj_long_coul_long_omp.cpp
M		src/USER-OMP/pair_lj_long_coul_long_omp.h
M		src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
M		src/USER-OMP/pair_lj_long_tip4p_long_omp.h
M		src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
M		src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
M		src/USER-OMP/pair_nm_cut_omp.cpp
P		src/USER-OMP/pair_tersoff_mod_omp.cpp Copied from src/USER-OMP/pair_tersoff_omp.cpp
P		src/USER-OMP/pair_tersoff_mod_omp.h Copied from src/USER-OMP/pair_edip_omp.h
M		src/USER-OMP/pair_tip4p_cut_omp.cpp
M		src/USER-OMP/pair_tip4p_long_omp.cpp
V		src/{USER-OMP/pair_zbl_omp.cpp ← pair_nm_cut_omp.cpp}
P		src/USER-OMP/pair_zbl_omp.h Copied from src/USER-OMP/pair_soft_omp.h
M		src/USER-OMP/pppm_cg_omp.cpp
M		src/USER-OMP/pppm_disp_omp.cpp
M		src/USER-OMP/pppm_disp_omp.h
M		src/USER-OMP/pppm_disp_tip4p_omp.cpp
M		src/USER-OMP/pppm_omp.cpp
M		src/USER-OMP/pppm_tip4p_cg_omp.cpp
M		src/USER-OMP/pppm_tip4p_omp.cpp
M		src/USER-OMP/respa_omp.cpp
M		src/USER-OMP/thr_data.cpp
M		src/input.cpp
M		src/pair_coul_dsf.cpp
M		src/pair_lj_cut_coul_dsf.cpp
V		src/{pair_nm_cut_omp.cpp → USER-OMP/pair_zbl_omp.cpp}
D		src/pair_nm_cut_omp.h