BioD PNPI Git Repos - alexxy/gromacs.git/search

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2021-09-28	Dmitry Morozov	Implementation of QMMM, QMMMSimulationParameterSetup...	commit \| commitdiff \| tree
2021-09-24	Dmitry Morozov	Added QMMMOptions class for managing mdp and KVT I/O	commit \| commitdiff \| tree
2021-09-23	Dmitry Morozov	Added QMMMForceProvider class for QMMM MdModule	commit \| commitdiff \| tree
2021-09-14	Dmitry Morozov	Added class for making QMMM-related topology modifications	commit \| commitdiff \| tree
2021-09-13	Dmitry Morozov	Added CP2K related options to CMake files	commit \| commitdiff \| tree
2021-08-26	Dmitry Morozov	Added toUpperCase and toLowerCase transformations of...	commit \| commitdiff \| tree
2021-08-13	Dmitry Morozov	Fix MSVC error in toppush.cpp	commit \| commitdiff \| tree
2021-08-12	Dmitry Morozov	Added class for generating standard CP2K input	commit \| commitdiff \| tree
2021-06-29	Dmitry Morozov	Fix leak in copy_t_atoms	commit \| commitdiff \| tree
2021-06-07	Dmitry Morozov	Added EnergyOutputRequestChecker notification for MDModules	commit \| commitdiff \| tree
2021-06-03	Dmitry Morozov	Added QM input file name as command-line parameter...	commit \| commitdiff \| tree
2021-06-02	Dmitry Morozov	Add notifications for MDModules that will be used in...	commit \| commitdiff \| tree
2021-05-26	Dmitry Morozov	Moved PME-only ranks check to domain decomposition...	commit \| commitdiff \| tree
2021-04-10	Dmitry Morozov	Fix several errors when compiling with MSVC	commit \| commitdiff \| tree
2021-01-29	Dmitry Morozov	Added functionality that allows MdModules to disable...	commit \| commitdiff \| tree
2019-04-05	Морозов Дмитрий	Fixes bug in l-bfgs.	commit \| commitdiff \| tree

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