Merge pull request #541 from lammps/charmm (25a5d12a) · Commits · multiscale / lammps · GitLab

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25a5d12a

Commit 25a5d12a authored 7 years ago by sjplimp Committed by GitHub 7 years ago

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Merge pull request #541 from lammps/charmm

use CHARMM energy conversion factor with new CHARMM pair styles

parents 7a4a5698 feb500b5

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doc/src/kspace_modify.txt 5 additions, 5 deletions

doc/src/kspace_modify.txt
src/KSPACE/pair_lj_charmmfsw_coul_long.cpp 19 additions, 0 deletions

src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp 19 additions, 0 deletions

src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
src/force.cpp 2 additions, 0 deletions

src/force.cpp
src/force.h 3 additions, 0 deletions

src/force.h
src/min.cpp 2 additions, 2 deletions

src/min.cpp
src/update.cpp 1 addition, 1 deletion

src/update.cpp

with 51 additions and 8 deletions

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