Add checkpointing for MdModules
[alexxy/gromacs.git] / src / gromacs / mdlib / mdoutf.cpp
2019-09-01 Christian BlauAdd checkpointing for MdModules
2019-08-22 Mark AbrahamMerge branch release-2019
2019-08-01 Paul BauerMerge release-2019 into master
2019-06-14 Paul BauerMerge branch release-2018 into release-2019
2019-05-25 Pascal MerzRemove dependence of mdoutf_write_to_trajectory_files...
2019-05-22 Mark AbrahamIntroduce tri-state enums for restarts
2019-04-02 Paul BauerRefactor gmx_group_t to SimulationAtomGroups
2019-03-07 Mark AbrahamEliminate mdlib/mdrun.h
2019-03-06 Mark AbrahamRevert "Eliminate mdlib/mdrun.h"
2019-03-06 Mark AbrahamEliminate mdlib/mdrun.h
2019-03-02 Mark AbrahamMerge branch release-2019
2019-02-20 Paul BauerMerge branch 'release-2019' into master
2019-02-11 Roland SchulzRemove EmptyArrayRef
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-23 Roland SchulzMerge release-2019 into master
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2019-01-02 Mark AbrahamMerge branch release-2019
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-26 Kevin BoydFix small leaks in do_md cleanup
2018-12-18 Szilárd PállMerge release-2019 branch into master
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-12-10 Paul BauerUse more const references in topology code
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-10-08 Mark AbrahamImplement PaddedVector
2018-09-28 Mark AbrahamMake some symbols in gmxpre-config.h always defined
2018-09-09 Paul BauerRemove macro for group type in topology
2018-08-29 Mark AbrahamMerge branch release-2018
2018-08-24 Mark AbrahamMerge branch release-2018
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types
2018-07-04 Roland SchulzMerge release-2018 into master
2018-06-04 Magnus LundborgWrite lambdas and box to TNG at correct intervals
2018-05-23 Berk HessSplit off collect.cpp from domdec.cpp
2018-05-03 Mark AbrahamMerge branch release-2018
2018-04-13 Mark AbrahamMerge branch release-2018
2018-03-28 Mark AbrahamMerge branch release-2018
2018-03-20 Mark AbrahamMerge branch release-2016 into release-2018
2018-03-13 Mark AbrahamAdd more const to uses of t_commrec and t_inputrec
2018-03-06 Mark AbrahamMerge branch release-2018
2018-02-27 Aleksei IupinovMerge branch 'release-2018'
2018-02-16 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-16 Mark AbrahamMerge branch release-2018 into master
2018-02-14 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-09 Mark AbrahamMerge branch release-2018
2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-08 Aleksei IupinovMerge branch 'release-2018' into master
2018-02-06 Aleksei IupinovRemove unnecessary includes from domdec.h
2018-01-16 Mark AbrahamMerge "Merge release-2018 into master"
2018-01-16 Roland SchulzMerge release-2018 into master
2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018
2018-01-05 Erik LindahlMake TNG writing work with multiple identical steps
2018-01-04 Mark AbrahamMerge branch release-2018
2018-01-01 Erik LindahlClarify XTC error message
2017-12-22 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-21 Mark AbrahamMerge branch release-5-1 into release-2016
2017-12-20 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-12 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-04 Mark AbrahamMerge branch release-2016 into release-2018
2017-11-21 Mark AbrahamUse much less PaddedRVecVector and more ArrayRef of...
2017-11-02 Mark AbrahamMerge branch release-2016
2017-10-20 Mark AbrahamMerge branch release-2016
2017-10-16 Mark AbrahamMerge branch release-2016
2017-09-25 Berk HessSet global state on master rank only
2017-09-17 Mark AbrahamMerge branch release-2016
2017-09-12 Mark AbrahamMerge branch release-2016
2017-09-12 Szilárd PállMerge branch 'release-2016'
2017-09-03 Mark AbrahamMerge branch release-5-1 into release-2016
2017-09-03 Berk HessPut mdrun options in structs
2017-08-22 Mark AbrahamMerge branch release-2016
2017-08-15 Mark AbrahamMerge branch release-5-1 into release-2016
2017-06-28 Mark AbrahamMerge branch release-2016
2017-06-27 Roland SchulzMerge branch release-2016
2017-05-22 Berk HessIntroduce ObservablesHistory container
2017-05-09 Mark AbrahamMerge branch release-2016
2017-03-31 Mark AbrahamMerge branch release-2016
2017-03-14 Mark AbrahamMerge branch release-2016
2017-03-04 Teemu MurtolaRemove MDModules use from mdlib
2017-02-27 Teemu MurtolaRemove module references from t_inputrec
2017-02-15 Mark AbrahamMerge branch release-5-1 into release-2016
2017-02-07 Mark AbrahamMerge branch release-2016
2017-02-05 Mark AbrahamMerge branch release-5-1 into release-2016
2017-01-31 Mark AbrahamMerge branch release-5-1 into release-2016
2017-01-23 Mark AbrahamStopped header files including state.h
2017-01-14 Mark AbrahamMerge branch release-2016
2017-01-11 Roland SchulzTidy: modernize-use-nullptr
2017-01-03 Mark AbrahamMerge branch release-5-1 into release-2016
2016-12-20 Mark AbrahamMerge branch release-2016
2016-12-12 Teemu MurtolaMerge branch release-2016
2016-12-07 Mark AbrahamMerge branch release-2016
2016-10-31 Mark AbrahamMerge branch release-2016
2016-10-31 Mark AbrahamMerge branch release-2016
2016-10-15 Berk HessMove energyhistory_t out of t_state
2016-10-09 Mark AbrahamMerge branch release-2016
2016-10-07 David van der SpoelModularize electric field handling
2016-10-03 Mark AbrahamMerge branch release-5-1 into release-2016
2016-09-29 Berk HessUse std::vector in t_state
2016-09-20 Berk HessRemove state duplication in serial runs
2016-09-08 Mark AbrahamMerge branch release-5-1 into release-2016
2016-09-02 Berk HessMerge branch release-5-1 into release-2016
2016-08-24 Berk HessMerge branch release-5-1 into release-2016
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