Add hasPerturbedChargeIn14Interaction to atomInfo bits
authorMark Abraham <mark.j.abraham@gmail.com>
Mon, 7 Jun 2021 23:37:24 +0000 (23:37 +0000)
committerPascal Merz <pascal.merz@me.com>
Mon, 7 Jun 2021 23:37:24 +0000 (23:37 +0000)
commitbb4acb6f88487ff70e543b3a3ea06eb52131a532
tree3301a191ad9b4965f0d7de432202889a33ef7f3b
parent2f0bcc37c6ab84f250c5ffc0ebdeee267b847a9f
Add hasPerturbedChargeIn14Interaction to atomInfo bits
src/gromacs/domdec/localtopology.cpp
src/gromacs/domdec/localtopology.h
src/gromacs/domdec/mdsetup.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdtypes/atominfo.h
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/mtop_util.h
src/gromacs/topology/tests/mtop.cpp
src/gromacs/topology/tests/topsort.cpp
src/gromacs/topology/topsort.cpp
src/gromacs/topology/topsort.h