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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/ partition.cpp
2021-11-04
Berk Hess
Clean up index handing in make_bondeds_zone
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-06-08
Mark Abraham
Unite the post-DD-partition update of the local topology
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commitdiff
2021-06-07
Mark Abraham
Make LocalTopologyChecker class and hide implementation...
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2021-06-04
Mark Abraham
Convert atomInfo to int64_t
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2021-06-03
Mark Abraham
Remove preprocessor usage for atomInfo
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2021-05-31
Mark Abraham
Split localtopology from domdec_topology
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commitdiff
2021-05-31
Mark Abraham
Partial renaming of cginfo to atom info
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2021-05-27
Mark Abraham
Move the code of what will later implement LocalTopolog...
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commitdiff
2021-05-24
Berk Hess
Fix incorrectly sized ga2la hash table
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2021-05-17
Mark Abraham
Refactor gmx_reverse_top_t
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-06
Paul Bauer
Remove UB in ArrayRef from array
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commitdiff
2021-05-04
Mark Abraham
Decouple update-group aspects of vsites and constraints
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2021-05-04
Mark Abraham
Remove some use of charge groups from domdec
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2021-05-03
Berk Hess
Clean up DD bonded interaction assignment
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2021-04-20
Paul Bauer
Fix possible UB in ArrayRef construction
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2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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2021-04-14
Paul Bauer
Modernize wallcycle counting
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2021-04-02
ejjordan
Move domdec/partition into gmx namespace; minor cleanup
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commitdiff
2021-03-30
Mark Abraham
Move responsibility for checking bondeds in reverse...
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2021-03-29
Joe Jordan
Move nsgrid header/source from mdlib to domdec
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2021-03-19
ejjordan
Use ArrayRef in gmx_pme_send_parameters
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2021-03-16
Joe Jordan
Use RVec and std::array in gmx_domdec_comm_t
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2021-03-16
Joe Jordan
Remove conditional assignemnt of cell sizes from domdec...
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-28
Joe Jordan
Use more const ref in domdec API
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2021-02-26
Joe Jordan
Only use const ref for mtop and inputrec in domdec
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commitdiff
2021-02-24
Paul Bauer
Rework state checkpoint enum handling
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2021-02-22
Joe Jordan
Hold unique_ptr for interaction_const in forcerec
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commitdiff
2021-02-22
Paul Bauer
Refactor md_enums
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commitdiff
2021-02-18
ejjordan
Use array in gmx_domdec_zones_t
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-12
Mark Abraham
Improve CUDA codegen flags
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2021-02-09
Pascal Merz
Make temperature and pressure coupling enums enum classes
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2021-02-02
Szilárd Páll
Improve DLB recommendation
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-10-21
Berk Hess
Fix pull code bug with DD and atom sets
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-18
Berk Hess
Remove cutoff_scheme from t_forcerec and interaction_co...
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2020-09-16
Berk Hess
Remove unnecessary condition in DD force buffer resizing
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-27
Berk Hess
Add ForceBuffers class
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2020-05-12
Berk Hess
Extract helper force buffers to a separate class
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2020-05-12
Berk Hess
Refactor virtual site interface
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-06
Berk Hess
Move force buffer resizing to mdsetup
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2020-03-18
Berk Hess
Remove use of graph in do_force()
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-24
Pascal Merz
Use ArrayRef in compute_globals
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2020-02-23
ejjordan
Use more forward declarations to removed header depende...
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Mark Abraham
Clean up ewald module internals
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-19
ejjordan
Change some domdec data members to RVec or IVec
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2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
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2019-11-30
Paul Bauer
Merge origin/release-2020 into master
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-21
Mark Abraham
Merge branch release-2020
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-19
Berk Hess
Fix bonded atom communication performance
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2019-11-14
Berk Hess
Simplify t_forcerec destruction
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-23
Berk Hess
Use gmx::Range in Nbnxm gridding functions
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2019-10-01
Berk Hess
Use gmx::Range in domdec
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commitdiff
2019-10-01
Berk Hess
Completely remove charge groups
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commitdiff
2019-10-01
Berk Hess
Simplify DD exclusion counting
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commitdiff
2019-09-30
Berk Hess
Remove charge group code from forcerec
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-24
Berk Hess
Remove obsolete dd_get_ns_ranges()
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2019-09-19
Berk Hess
Remove bLocalCG from DD code
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2019-09-12
Artem Zhmurov
Change PaddedVector to PaddedHostVector for force CPU...
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2019-09-09
Berk Hess
Clean up PME rank variables
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2019-09-05
Berk Hess
Extract DDRankSetup from gmx_domdec_comm_t
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2019-09-04
Berk Hess
Collect settings for DD in DDSettings
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2019-09-04
Berk Hess
Move constraint and bonded filtering info into DDSystemInfo
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commitdiff
2019-09-04
Berk Hess
Move update grouping to DDSystemInfo
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commitdiff
2019-09-03
Berk Hess
Extract DDSystemInfo from gmx_domdec_comm_t
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commitdiff
2019-09-03
Berk Hess
Extact UnitCellInfo from gmx_domdec_t
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2019-08-22
Mark Abraham
Merge branch release-2019
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commitdiff
2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
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commitdiff
2019-08-20
Mark Abraham
Fix issues for clang-analyzer-8
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commitdiff
2019-08-01
Mark Abraham
Manage compiler flags and some include options per...
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
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