Added class for generating standard CP2K input
authorDmitry Morozov <aracsmd@gmail.com>
Thu, 12 Aug 2021 09:40:38 +0000 (09:40 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 12 Aug 2021 09:40:38 +0000 (09:40 +0000)
commitc8170794de75246116850afcd3a752509327de8b
tree4b694e6378540e7507d8061a6a9c2633535c8dfa
parenta29144a0c2867c4c6ee1a2859f473cd71cdd16e7
Added class for generating standard CP2K input
src/gromacs/applied_forces/CMakeLists.txt
src/gromacs/applied_forces/qmmm/CMakeLists.txt [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/qmmminputgenerator.cpp [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/qmmminputgenerator.h [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/qmmmtypes.h [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/tests/.clang-tidy [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/tests/CMakeLists.txt [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/tests/qmmminputgenerator.cpp [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/tests/refdata/QMMMInputGeneratorTest_TwoWatersPBENoLink.xml [new file with mode: 0644]
src/gromacs/applied_forces/qmmm/tests/refdata/QMMMInputGeneratorTest_TwoWatersPBEWithLink.xml [new file with mode: 0644]