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Implementation of QMMM, QMMMSimulationParameterSetup and QMMMOutputProvider classes
[alexxy/gromacs.git]
/
src
/
gromacs
/
applied_forces
/
qmmm
/
CMakeLists.txt
2021-09-28
Dmitry Morozov
Implementation of QMMM, QMMMSimulationParameterSetup...
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2021-09-24
Dmitry Morozov
Added QMMMOptions class for managing mdp and KVT I/O
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2021-09-23
Dmitry Morozov
Added QMMMForceProvider class for QMMM MdModule
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-09-14
Dmitry Morozov
Added class for making QMMM-related topology modifications
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-12
Dmitry Morozov
Added class for generating standard CP2K input
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biod.pnpi.spb.ru / alexxy / gromacs.git / history