SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / mdlib / constr.h
2021-10-18 Andrey AlekseenkoMerge release-2021 into master
2021-09-27 Mark AbrahamUse ObservablesReducer for LINCS RMSD computation
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
2021-05-19 Joe JordanClean up some headers in mdlib
2021-05-13 Mark AbrahamDecouple update group handling from domain decompositio...
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master
2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints
2021-03-25 Joe JordanUse ArrayRef in signatures of constraints and some...
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio...
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2021-02-22 Paul BauerRefactor md_enums
2021-02-12 Mark AbrahamMerge branch release-2021 into master
2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021
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 Paul BauerFix doxygen warnings
2020-08-31 Paul BauerMerge branch 'release-2020' into master
2020-06-08 Artem ZhmurovMove constraints related logic to constraints file
2020-05-26 Artem ZhmurovRemove the dependence on Constraints object on t_mdatoms
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master
2020-03-05 Berk HessAdd InteractionDefinitions
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-01-28 Paul BauerMerge branch origin/release-2020 into master
2020-01-22 Berk HessMinor cleanup in constraint and shellfc code
2020-01-20 Berk HessUse ArrayRef(WithPadding) in constraint code
2020-01-20 Berk HessUse std::vector in shellfc
2020-01-09 Mark AbrahamSplit lines with many copyright years
2020-01-08 Roland SchulzMerge release-2019 into release-2020
2020-01-07 Paul BauerMerge branch origin/release-2020 into master
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020
2019-12-22 Berk HessUse ListOfLists for atom to constraint mapping
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
2019-09-27 Artem ZhmurovSlight improvements to GPU update/constraints initializ...
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-09-05 Pascal MerzMake do_constrain_first() independent of t_state
2019-08-23 Mark AbrahamUpdate clang-tidy to clang version 8
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
2019-05-23 Mark AbrahamRevert "Fixed dvdlambda for SHAKE + FE"
2019-04-18 Mark AbrahamMove pull work struct out of inputrec
2019-03-18 Prashanth KanduriMoving do_constraints_first(...) to constr.h
2019-03-02 Mark AbrahamMerge branch release-2019
2019-02-20 Paul BauerMerge "Merge branch 'release-2019' into master"
2019-02-20 Paul BauerMerge branch 'release-2019' into master
2019-02-09 Berk HessDisallow rerun with perturbed masses or constraints
2019-02-07 Roland SchulzRevert size to be unsigned for ArrayRef
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
2018-12-14 Berk HessFixed nullptr derefence in LINCS error
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-09-19 Berk HessConvert gmx_ffparams_t to C++
2018-09-13 Berk HessAdd C++ version of t_ilist
2018-09-13 Roland SchulzRemove useless comments
2018-08-29 Mark AbrahamMerge branch release-2018
2018-08-24 Mark AbrahamMerge branch release-2018
2018-08-18 Roland Schulzclang-tidy: google tests applicable
2018-08-12 Roland Schulz3/3 of old-style casting
2018-08-11 Roland SchulzEnable clang-tidy for headers
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types
2018-07-04 Roland SchulzMerge release-2018 into master
2018-07-04 Roland SchulzEnable more warnings for Clang 6
2018-06-13 Mark AbrahamUse more containers and views for constraints code
2018-06-06 Berk HessClean up make_at2con
2018-06-05 Mark AbrahamSeparate flexible constraint counting
2018-06-05 Mark AbrahamMake Constraints a proper class
2018-05-04 Mark AbrahamMerge "Merge branch release-2018"
2018-05-04 Mark AbrahamMore const correctness
2018-05-03 Mark AbrahamMerge branch release-2018
2018-04-13 Mark AbrahamMerge branch release-2018
2018-04-13 Mark AbrahamClean up constraints code
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
2018-03-06 Mark AbrahamFixed dvdlambda for SHAKE + FE
2018-02-28 Mark AbrahamMoved and removed constraint code
2018-02-28 Mark AbrahamReorganized constraint code
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
2018-02-13 Mark AbrahamSeparate multisim from commrec
2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018
2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018
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