Enable atom reordering in WholeMoleculeTransform
authorBerk Hess <hess@kth.se>
Wed, 25 Aug 2021 15:04:48 +0000 (15:04 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 25 Aug 2021 15:04:48 +0000 (15:04 +0000)
commit76d9277d1ad0edc13e362859b39e68da5a990f52
tree89f674f870fb342a70e65718d3e326f046965612
parent67835db86fa41eee8b6e4ea4aff498c5b0e7bb8e
Enable atom reordering in WholeMoleculeTransform
src/gromacs/domdec/mdsetup.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/tests/CMakeLists.txt
src/gromacs/mdlib/tests/wholemoleculetransform.cpp [new file with mode: 0644]
src/gromacs/mdlib/wholemoleculetransform.cpp
src/gromacs/mdlib/wholemoleculetransform.h