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Remove charge group code from forcerec
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
partition.cpp
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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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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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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2018-12-12
Szilárd Páll
Improve DLB report/note
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-11-08
Berk Hess
Fix bug with DD for dims without PBC
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-08
Berk Hess
Enable update groups
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2018-10-08
Mark Abraham
Implement PaddedVector
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2018-10-02
Berk Hess
Update DD cutoffs for update groups
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2018-09-29
Berk Hess
Add UpdateGroupsCog to DD
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2018-09-26
Pascal Merz
(Re-)fix typo in DD load balancing printing
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2018-09-22
Berk Hess
Rename DD constraint booleans
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2018-09-20
Berk Hess
Fix type bug in trilinic DD code
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2018-09-18
Mark Abraham
Separated partitioning and dlb code within domdec
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