Disallowed change of ensemble for checkpoint restart
[alexxy/gromacs.git] / src / gromacs / fileio / checkpoint.cpp
2018-02-19 Mark AbrahamDisallowed change of ensemble for checkpoint restart
2018-02-16 Mark AbrahamMerge branch release-2018 into master
2018-02-15 Mark AbrahamUse struct for checkpoint header contents
2018-02-14 Mark AbrahamRemove read_checkpoint_state
2018-02-14 Mark AbrahamUse std::vector for checkpoint outputfiles
2018-02-14 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-14 Mark AbrahamFix bug in checkpoint error checking
2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018
2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018
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...
2017-11-21 Viveca LindahlAdd force correlation to AWH module
2017-11-19 Viveca LindahlAdd AWH biasing module + tests
2017-11-02 Mark AbrahamMerge branch release-2016
2017-10-20 Mark AbrahamMerge branch release-2016
2017-10-16 Mark AbrahamMerge branch release-2016
2017-10-06 Berk HessImprove PaddedRVecVector resizing
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
2017-08-28 Roland SchulzEnable unused function warning
2017-08-23 Mark AbrahamStopped checkpoint influencing parallelism setup
2017-08-22 Mark AbrahamMerge branch release-2016
2017-08-15 Mark AbrahamMerge branch release-5-1 into release-2016
2017-07-03 Berk HessRemove gmx_constexpr
2017-06-28 Mark AbrahamMerge branch release-2016
2017-06-27 Roland SchulzMerge branch release-2016
2017-06-04 Berk HessFix checkpoint reading without energy history
2017-05-23 Berk HessAdd conserved quantity for Berendsen P-couple
2017-05-23 Berk HessAdd conserved q. for PR and Berendsen T-couple
2017-05-22 Berk HessIntroduce ObservablesHistory container
2017-05-09 Mark AbrahamMerge branch release-2016
2017-05-09 Mark AbrahamCleaned up memory usage in gmx traj and trjconv
2017-04-18 Berk HessSuppress two compiler warnings
2017-03-31 Mark AbrahamMerge branch release-2016
2017-03-14 Mark AbrahamMerge branch release-2016
2017-02-15 Mark AbrahamMerge branch release-5-1 into release-2016
2017-02-09 Mark AbrahamComplete the removal of stateful RNG
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
2017-01-21 Mark AbrahamRemoved init_state
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
2016-11-23 Berk HessConvert energyhistory_t to use std::vector
2016-11-23 Berk HessUse templating in checkpoint.cpp
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
2016-10-15 Teemu MurtolaWork around memory leak in t_state
2016-10-09 Mark AbrahamMerge branch release-2016
2016-10-03 Mark AbrahamMerge branch release-5-1 into release-2016
2016-09-29 Berk HessUse std::vector in t_state
2016-09-16 Berk HessMerge branch release-2016
2016-09-13 Berk HessMoved expanded ensemble history to pointer in t_state
2016-09-13 Berk HessChange ED and swapstate to pointers in t_state
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
2016-07-29 Mark AbrahamMerge branch release-5-1 into release-2016
2016-07-08 Mark AbrahamMerge branch release-5-1 into release-2016
2016-06-30 Mark AbrahamMerge branch release-5-1 into release-2016
2016-06-27 Mark AbrahamMerge branch release-5-1 into release-2016
2016-06-23 Mark AbrahamMerge branch release-2016
2016-06-22 Mark AbrahamMerge branch release-5-1 into release-2016
2016-06-19 Berk HessRemove warnings on checkpoint mismatch
2016-06-17 Mark AbrahamMerge branch release-5-1 into release-2016
2016-06-08 Mark AbrahamMerge branch release-5-1 into release-2016
2016-05-12 Mark AbrahamMerge branch release-5-1 into release-2016
2016-05-05 Teemu MurtolaMerge branch release-5-1
2016-04-27 Mark AbrahamMerge branch release-5-1
2016-04-14 Mark AbrahamMerge branch release-5-1
2016-02-23 Mark AbrahamReplace cppcheck suppression in checkpoint code
2016-02-19 Mark AbrahamMerge branch release-5-1
2016-02-10 Mark AbrahamFix issues to update cppcheck support to 1.72
2016-02-06 Mark AbrahamMerge branch release-5-1
2016-01-28 Mark AbrahamMerge branch release-5-1
2016-01-27 Mark AbrahamMerge branch release-5-1
2016-01-25 Mark AbrahamMerge branch release-5-1
2016-01-20 Szilárd PállMerge remote-tracking branch 'origin/release-5-1' into...
2016-01-10 Teemu MurtolaConvert some config.h macros to use 0/1
2016-01-08 Mark AbrahamMerge branch release-5-1
2016-01-07 Mark AbrahamRemove SD2 integrator
2016-01-04 Mark AbrahamChange GMX_DOUBLE to be always defined
2015-12-28 Mark AbrahamMerge branch release-5-1
2015-12-27 Berk HessReorganized domdec initialization
2015-12-20 Berk HessMerge release-5-1 into master
2015-12-19 Teemu MurtolaUpdate versioning for new scheme
2015-12-12 Teemu MurtolaCreate separate module for trajectory data
2015-12-11 Teemu MurtolaMerge "Merge branch 'origin/release-5-1'"
2015-12-10 Mark AbrahamMerge branch 'origin/release-5-1'
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