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Rework state checkpoint enum handling
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
partition.cpp
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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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-18
ejjordan
Use array in gmx_domdec_zones_t
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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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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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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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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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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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2019-10-01
Berk Hess
Completely remove charge groups
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2019-10-01
Berk Hess
Simplify DD exclusion counting
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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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diff to current
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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2019-09-04
Berk Hess
Move update grouping to DDSystemInfo
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2019-09-03
Berk Hess
Extract DDSystemInfo from gmx_domdec_comm_t
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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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2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
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2019-08-20
Mark Abraham
Fix issues for clang-analyzer-8
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2019-08-01
Mark Abraham
Manage compiler flags and some include options per...
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-11
Pascal Merz
Remove dependence of compute_globals on t_state
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-18
Berk Hess
Remove charge groups from domdec and localtop
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2019-04-18
Mark Abraham
Move pull work struct out of inputrec
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2019-04-17
Berk Hess
Remove group scheme search code
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2019-04-17
Berk Hess
Simplify vsite PBC handling
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2019-04-17
Prashanth Kanduri
Move shellfc code to the mdrun module
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2019-04-16
Mark Abraham
Removed mdrun -gcom
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2019-04-10
Mark Abraham
Make ImdSession into a Pimpl-ed class with factory...
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2019-04-10
Mark Abraham
Reform IMD module
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2019-03-15
Berk Hess
Change nbnxn_search to class PairSearch
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2019-03-14
Berk Hess
Add nbnxm GridSet class
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-28
Berk Hess
Use unique_ptr in nonbonded_verlet_t
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2019-02-21
Berk Hess
Simplify make_pairlist() call signature
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2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-17
Berk Hess
Use enum class for nbnxm locality
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2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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2019-02-07
Roland Schulz
Add ssize and remove static_casts
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2019-02-06
Berk Hess
Fix segfault with EM, DD and group scheme
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2019 into master
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diff to current
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-04
Paul Bauer
Change gmx_localtop_t to C++
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2019-01-03
Berk Hess
Fix segmentation fault in DD code
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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biod.pnpi.spb.ru / alexxy / gromacs.git / history