SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / domdec / partition.cpp
2021-11-04 Berk HessClean up index handing in make_bondeds_zone
2021-10-18 Andrey AlekseenkoMerge release-2021 into master
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
2021-06-08 Mark AbrahamUnite the post-DD-partition update of the local topology
2021-06-07 Mark AbrahamMake LocalTopologyChecker class and hide implementation...
2021-06-04 Mark AbrahamConvert atomInfo to int64_t
2021-06-03 Mark AbrahamRemove preprocessor usage for atomInfo
2021-05-31 Mark AbrahamSplit localtopology from domdec_topology
2021-05-31 Mark AbrahamPartial renaming of cginfo to atom info
2021-05-27 Mark AbrahamMove the code of what will later implement LocalTopolog...
2021-05-24 Berk HessFix incorrectly sized ga2la hash table
2021-05-17 Mark AbrahamRefactor gmx_reverse_top_t
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master
2021-05-06 Paul BauerRemove UB in ArrayRef from array
2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints
2021-05-04 Mark AbrahamRemove some use of charge groups from domdec
2021-05-03 Berk HessClean up DD bonded interaction assignment
2021-04-20 Paul BauerFix possible UB in ArrayRef construction
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads
2021-04-14 Paul BauerModernize wallcycle counting
2021-04-02 ejjordanMove domdec/partition into gmx namespace; minor cleanup
2021-03-30 Mark AbrahamMove responsibility for checking bondeds in reverse...
2021-03-29 Joe JordanMove nsgrid header/source from mdlib to domdec
2021-03-19 ejjordanUse ArrayRef in gmx_pme_send_parameters
2021-03-16 Joe JordanUse RVec and std::array in gmx_domdec_comm_t
2021-03-16 Joe JordanRemove conditional assignemnt of cell sizes from domdec...
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2021-02-28 Joe JordanUse more const ref in domdec API
2021-02-26 Joe JordanOnly use const ref for mtop and inputrec in domdec
2021-02-24 Paul BauerRework state checkpoint enum handling
2021-02-22 Joe JordanHold unique_ptr for interaction_const in forcerec
2021-02-22 Paul BauerRefactor md_enums
2021-02-18 ejjordanUse array in gmx_domdec_zones_t
2021-02-12 Mark AbrahamMerge branch release-2021 into master
2021-02-12 Mark AbrahamImprove CUDA codegen flags
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes
2021-02-02 Szilárd PállImprove DLB recommendation
2021-01-29 Mark AbrahamMerge branch release-2021
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.
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021...
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020...
2020-10-21 Berk HessFix pull code bug with DD and atom sets
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-09-18 Berk HessRemove cutoff_scheme from t_forcerec and interaction_co...
2020-09-16 Berk HessRemove unnecessary condition in DD force buffer resizing
2020-08-31 Paul BauerMerge branch 'release-2020' into master
2020-08-27 Berk HessAdd ForceBuffers class
2020-05-12 Berk HessExtract helper force buffers to a separate class
2020-05-12 Berk HessRefactor virtual site interface
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master
2020-04-06 Berk HessMove force buffer resizing to mdsetup
2020-03-18 Berk HessRemove use of graph in do_force()
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-02-24 Pascal MerzUse ArrayRef in compute_globals
2020-02-23 ejjordanUse more forward declarations to removed header depende...
2020-01-28 Paul BauerMerge branch origin/release-2020 into master
2020-01-09 Mark AbrahamClean up ewald module internals
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
2019-12-19 ejjordanChange some domdec data members to RVec or IVec
2019-12-12 Paul BauerMerge branch 'origin/release-2020' into master
2019-11-30 Paul BauerMerge origin/release-2020 into master
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020
2019-11-21 Mark AbrahamMerge branch release-2020
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020
2019-11-19 Berk HessFix bonded atom communication performance
2019-11-14 Berk HessSimplify t_forcerec destruction
2019-11-07 Paul BauerApply clang-format to source tree
2019-10-29 Paul BauerMerge branch 'release-2019' into master
2019-10-23 Berk HessUse gmx::Range in Nbnxm gridding functions
2019-10-01 Berk HessUse gmx::Range in domdec
2019-10-01 Berk HessCompletely remove charge groups
2019-10-01 Berk HessSimplify DD exclusion counting
2019-09-30 Berk HessRemove charge group code from forcerec
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Mark AbrahamMerge "Merge branch release-2019 into master"
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-09-24 Berk HessRemove obsolete dd_get_ns_ranges()
2019-09-19 Berk HessRemove bLocalCG from DD code
2019-09-12 Artem ZhmurovChange PaddedVector to PaddedHostVector for force CPU...
2019-09-09 Berk HessClean up PME rank variables
2019-09-05 Berk HessExtract DDRankSetup from gmx_domdec_comm_t
2019-09-04 Berk HessCollect settings for DD in DDSettings
2019-09-04 Berk HessMove constraint and bonded filtering info into DDSystemInfo
2019-09-04 Berk HessMove update grouping to DDSystemInfo
2019-09-03 Berk HessExtract DDSystemInfo from gmx_domdec_comm_t
2019-09-03 Berk HessExtact UnitCellInfo from gmx_domdec_t
2019-08-22 Mark AbrahamMerge branch release-2019
2019-08-20 Mark AbrahamApply clang-tidy-8 readability-uppercase-literal-suffix
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8
2019-08-01 Mark AbrahamManage compiler flags and some include options per...
2019-08-01 Paul BauerMerge release-2019 into master
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