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(parent: 42ca95d) | patch
Implementation of QMMM, QMMMSimulationParameterSetup and QMMMOutputProvider classes
authorDmitry Morozov <aracsmd@gmail.com>
Tue, 28 Sep 2021 08:11:51 +0000 (08:11 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 28 Sep 2021 08:11:51 +0000 (08:11 +0000)
commit5621ec37c97a76eec10f8880ffbb66e95ed94a62
tree40a926628c8c63104d7b4aac02e14e384fa316c7tree | snapshot
parent42ca95dcc19ac31c54ea1adf77eaa9df4c33603ecommit | diff
Implementation of QMMM, QMMMSimulationParameterSetup and QMMMOutputProvider classes
src/gromacs/applied_forces/qmmm/CMakeLists.txt diff | blob | history
src/gromacs/applied_forces/qmmm/qmmm.cpp [new file with mode: 0644] blob
src/gromacs/applied_forces/qmmm/qmmm.h [new file with mode: 0644] blob
src/gromacs/applied_forces/qmmm/tests/CMakeLists.txt diff | blob | history
src/gromacs/applied_forces/qmmm/tests/qmmm.cpp [new file with mode: 0644] blob
src/gromacs/gmxpreprocess/grompp.cpp diff | blob | history
src/gromacs/utility/mdmodulesnotifiers.h diff | blob | history
Local GROMACS mirror with custom stuff