Added QM input file name as command-line parameter for grompp
authorDmitry Morozov <aracsmd@gmail.com>
Thu, 3 Jun 2021 14:33:14 +0000 (14:33 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 3 Jun 2021 14:33:14 +0000 (14:33 +0000)
commit8b3c70165b8b59130172dabda5d68c4a2656277d
tree71e204fdecb3e571a5b9ab63f34abe144bcc099b
parent691e8291a8f4a02fa1eada7dddca6e3dd653ff55
Added QM input file name as command-line parameter for grompp

Part of #3172
api/legacy/include/gromacs/fileio/filetypes.h
src/gromacs/fileio/filetypes.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/options/filenameoption.cpp
src/gromacs/options/optionfiletype.h
src/gromacs/utility/mdmodulesnotifiers.h