SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / fileio / checkpoint.cpp
2021-10-18 Andrey AlekseenkoMerge release-2021 into master
2021-09-22 Pascal MerzIntroduce expanded ensemble in modular simulator
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-06-29 Paul BauerMerge branch release-2021 into master
2021-06-07 Paul BauerUse enum class for checkpoint version
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master
2021-04-22 Joe JordanVectors in history_t
2021-04-19 Artem ZhmurovMake Compartment, Channel, ChannelHistory and Domaint...
2021-04-19 Artem ZhmurovMake XDR type into enum class
2021-04-17 Mark AbrahamRename files to follow style
2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers
2021-03-31 Mark AbrahamMake EnumerationArray::size() not static
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2021-02-24 Paul BauerRework state checkpoint enum handling
2021-02-22 Paul BauerRefactor md_enums
2021-02-12 Mark AbrahamMerge branch release-2021 into master
2021-01-29 Mark AbrahamMerge branch release-2021
2021-01-20 Mark AbrahamDescribe the configured precision correctly for mdrun
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2020-12-18 Mark AbrahamMerge branch release-2021
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree.
2020-12-11 Pascal MerzFix trx frame reading from modular simulator checkpoint...
2020-12-09 Pascal MerzFix dump of checkpoint files
2020-12-05 Pascal MerzClarify checkpoint mismatch error, and enable in release
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020...
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-09-29 Artem ZhmurovDon't use fah_fsync
2020-09-16 Pascal MerzImplement modular checkpointing
2020-09-06 Pascal MerzPrepare legacy checkpoint for modular simulator checkpo...
2020-08-31 Paul BauerMerge branch 'release-2020' into master
2020-08-10 Christian BlauMove density fitting checkpointing into state
2020-07-31 Mark AbrahamMove code to prepare for multisim class
2020-07-09 Pascal MerzDivide default communicator from DD communicators
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master
2020-04-29 Artem ZhmurovFix the number of steps check when checkpoint is loaded
2020-04-21 Mark AbrahamFix warnings with clang 9
2020-04-20 Artem ZhmurovFix the number of steps check when checkpoint is loaded
2020-04-14 Pascal MerzMake bonded interaction checking more robust (modular...
2020-04-08 Mark AbrahamFixes for clang-tidy-9
2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier
2020-03-04 Paul BauerMerge "Merge branch release-2020 into master"
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-02-25 Magnus LundborgFix out of sync checkpoint files in simulations sharing...
2020-02-18 Christian BlauSplit MdModuleNotifications into topics
2020-01-28 Paul BauerMerge branch origin/release-2020 into master
2020-01-09 Mark AbrahamSplit lines with many copyright years
2020-01-08 Roland SchulzMerge release-2019 into release-2020
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020
2019-11-07 Paul BauerApply clang-format to source tree
2019-10-29 Paul BauerMerge branch 'release-2019' into master
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-09-09 Christian BlauAdding every N-steps option to densityfitting
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
2019-05-22 Mark AbrahamRewrite starting behavior
2019-05-22 Mark AbrahamIntroduce tri-state enums for restarts
2019-03-02 Mark AbrahamMerge branch release-2019
2019-02-20 Paul BauerMerge branch 'release-2019' into master
2019-02-04 Roland SchulzRename all source files from - to _ for consistency.
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-19 Paul BauerMerge "Merge release-2019 branch into master"
2018-12-18 Szilárd PállMerge release-2019 branch into master
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-11-29 Magnus LundborgMake pull with COM from previous step work with MPI
2018-11-28 Paul BauerFix gcc-8 warnings
2018-11-22 Mark AbrahamMerge "Merge branch 'release-2019'"
2018-11-21 David van der SpoelMerge branch 'release-2019'
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-11-15 Mark AbrahamFix checkpoint restart of tpr with infinite step count
2018-11-08 Paul BauerIssue fatal error if checkpoint does not suit the .tpr
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-10-15 Magnus LundborgEnable output of average pull force and positions.
2018-10-11 Mark AbrahamOpen mdrun log file only once
2018-10-08 Mark AbrahamImplement PaddedVector
2018-10-05 Mark AbrahamCheck log and other files differently during appending...
2018-10-04 Mark AbrahamExtract helper functions for preparing for appending
2018-10-03 Magnus LundborgAllow using COM of previous step as PBC reference
2018-10-03 Mark AbrahamBasic modernization of md5 handling
2018-10-01 Mark AbrahamFix gcc-8 warnings about strings
2018-09-30 Bernhard M. WiedemannDo not gather CPU, user and host info about the build...
2018-09-28 Mark AbrahamMake some symbols in gmxpre-config.h always defined
2018-09-07 Roland SchulzSimplify Allocator
2018-08-29 Mark AbrahamMerge branch release-2018
2018-08-24 Mark AbrahamMerge branch release-2018
2018-08-18 Roland Schulzreadability-implicit-bool-conversion 2/2
2018-08-18 Roland Schulzreadability-implicit-bool-conversion 1/2
2018-08-14 Roland SchulzRemove BasicVector.as_vec
2018-08-13 Roland SchulzRemove cppcheck
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types
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