Closed shihkual closed 4 days ago
See issues
hpmc module hasn't provided the equivalent pair potential module in md, which are LJGauss and OPP.
LJGauss
OPP
PairPotentialLJGauss.cc
PairPotentialLJGauss.h
PairPotentialOPP.cc
PairPotentialOPP.h
hpmc
CMakeList.txt
module.cc
lj_gauss.py
opp.py
hpmc/pair
__init__.py
test_pair_lj_gauss.py
test_pair_opp.py
hpmc/pytest
hoomd.hpmc.pair.LJGauss
hoomd.hpmc.pair.OPP
sphinx-doc/credits.rst
pre-commit.ci autofix
Hi @joaander @josephburkhart @tcmoore3, the PR is ready for the first-round review. Would you provide some suggestions on the PR and solutions to the failed checks? Thanks!
Description
See issues
Motivation and context
hpmc module hasn't provided the equivalent pair potential module in md, which are
LJGauss
andOPP
.How has this been tested?
Change log
PairPotentialLJGauss.cc
,PairPotentialLJGauss.h
,PairPotentialOPP.cc
andPairPotentialOPP.h
underhpmc
.CMakeList.txt
andmodule.cc
underhpmc
.lj_gauss.py
andopp.py
underhpmc/pair
__init__.py
andCMakeList.txt
underhpmc/pair
.test_pair_lj_gauss.py
andtest_pair_opp.py
underhpmc/pytest
for testing the implementation ofhoomd.hpmc.pair.LJGauss
andhoomd.hpmc.pair.OPP
.CMakeList.txt
underhpmc/pytest
.Checklist:
sphinx-doc/credits.rst
) in the pull request source branch.