new CHARMM pair styles with force swithing/shifting
394e9b42b06a
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Authored by Steve Plimpton <sjplimp@sandia.gov> on Mar 24 2017, 20:53.

Description

new CHARMM pair styles with force swithing/shifting

Committed

Steve Plimpton <sjplimp@sandia.gov>

Mar 24 2017, 20:53

Pushed

junge

Oct 19 2017, 09:53

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Steve Plimpton <sjplimp@sandia.gov> committed rLAMMPS394e9b42b06a: new CHARMM pair styles with force swithing/shifting (authored by Steve Plimpton <sjplimp@sandia.gov>).Mar 24 2017, 20:53

		Path
M		doc/src/Section_commands.txt
M		doc/src/Section_example.txt
M		doc/src/Section_howto.txt
M		doc/src/compute_modify.txt
M		doc/src/dihedral_charmm.txt
M		doc/src/kspace_style.txt
M		doc/src/pair_charmm.txt
M		doc/src/pair_momb.txt
M		examples/README
A	(dir)	examples/gcmc/
A		examples/gcmc/CO2.txt
A		examples/gcmc/in.gcmc.co2
A		examples/gcmc/in.gcmc.lj
A		examples/gcmc/log.24Mar17.gcmc.co2.g++.1
A		examples/gcmc/log.24Mar17.gcmc.co2.g++.4
A		examples/gcmc/log.24Mar17.gcmc.lj.g++.1
A		examples/gcmc/log.24Mar17.gcmc.lj.g++.4
P		src/KSPACE/pair_lj_charmmfsw_coul_long.cpp Copied from src/KSPACE/pair_lj_charmm_coul_long.cpp
P		src/KSPACE/pair_lj_charmmfsw_coul_long.h Copied from src/KSPACE/pair_lj_charmm_coul_long.h
M		src/MANYBODY/pair_airebo.cpp
P		src/MOLECULE/dihedral_charmmfsh.cpp Copied from src/MOLECULE/dihedral_charmm.cpp
P		src/MOLECULE/dihedral_charmmfsh.h Copied from src/MOLECULE/dihedral_charmm.h
P		src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp Copied from src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
P		src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h Copied from src/MOLECULE/pair_lj_charmm_coul_charmm.h
M		src/USER-MISC/pair_momb.cpp