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Use ObservablesReducer for check of DD bonded interaction count.
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec.h
2021-09-23
Mark Abraham
Use ObservablesReducer for check of DD bonded interacti...
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2021-09-16
Artem Zhmurov
Miscellaneous doxygen fixes
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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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2021-08-18
Mark Abraham
Ensure restart with update groups always works
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-06-07
Mark Abraham
Make LocalTopologyChecker class and hide implementation...
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2021-06-03
Mark Abraham
Remove preprocessor usage for atomInfo
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2021-05-31
Mark Abraham
Finish breaking up domdec_topology.cpp
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2021-05-31
Mark Abraham
Split localtopology from domdec_topology
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2021-05-31
Mark Abraham
Partial renaming of cginfo to atom info
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2021-05-27
Mark Abraham
Move reverse topology code to its own translation unit
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2021-05-27
Mark Abraham
Move the code of what will later implement LocalTopolog...
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2021-05-17
Mark Abraham
Refactor gmx_reverse_top_t
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2021-05-13
Mark Abraham
Decouple update group handling from domain decompositio...
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-05-05
Mark Abraham
Break up dd_init_bondeds
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2021-05-04
ejjordan
Preven extension of DDBondedChecking
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2021-05-04
Mark Abraham
Decouple update-group aspects of vsites and constraints
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2021-05-03
Berk Hess
Clean up DD bonded interaction assignment
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2021-05-03
Mark Abraham
Replace bool with enum class in DomdecOptions
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2021-04-21
Mark Abraham
Use consistent naming for update groups
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2021-03-30
Mark Abraham
Move responsibility for checking bondeds in reverse...
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2021-03-23
ejjordan
Forward declare ArrayRef more and inlcude basedefinitio...
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-03-02
Paul Bauer
Fix nightly clang-tidy build
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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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2021-02-19
Berk Hess
Clean up DD reverse topology options
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2021-02-18
Pascal Merz
Implement velocity terms for virtual sites
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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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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2020-09-28
Alan Gray
Remove single-dimension limitation from GPU halo exchange
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-07-05
Gaurav Garg
Fix cycle counters for "comm.coord" and "Wait + Comm...
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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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2020-03-25
Artem Zhmurov
Make use of the DeviceStreamManager
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2020-03-13
Artem Zhmurov
Make DeviceStream into a class
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2020-03-11
Artem Zhmurov
Take over management of OpenCL context from PME and...
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2020-03-05
Berk Hess
Add InteractionDefinitions
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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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2020-02-15
Alan Gray
Multiple pulses for GPU Halo Exchange
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-20
Berk Hess
Use ArrayRef(WithPadding) in constraint code
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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2020-01-09
Mark Abraham
Split lines with many copyright years
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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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2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
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2019-12-12
Artem Zhmurov
Allow using GPU update with DD and update groups
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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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2019-11-14
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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2019-10-01
Artem Zhmurov
StatePropagatorDataGpu object to manage GPU forces...
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2019-09-30
Mark Abraham
Make a builder for DD
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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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2019-09-22
Berk Hess
Remove cgs_gl from gmx_domdec_comm_t
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2019-09-20
Mark Abraham
Refactor to create a GpuTaskAssignments object
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2019-09-19
Berk Hess
Remove bLocalCG from DD code
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2019-09-19
Berk Hess
Remove obsolete make_exclusions_zone_cg()
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2019-09-19
Mark Abraham
Use GPU halo exchange only when compatible DD is available
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2019-09-17
Berk Hess
Fix todos for update groups
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2019-09-09
Berk Hess
Rename DDSetup to DDGridSetup
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2019-09-09
Berk Hess
Clean up PME rank variables
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2019-09-07
Pascal Merz
Make pme_loadbal_do() independent of t_state
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2019-09-06
Berk Hess
Extract getting of DDRankSetup
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2019-09-05
Pascal Merz
Make do_constrain_first() independent of t_state
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2019-09-04
Berk Hess
Move constraint and bonded filtering info into 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
Remove gmx_domdec_t from dd_choose_grid()
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Berk Hess
Use shiftForces in ForceOuputs
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2019-08-05
Berk Hess
Make box const in do_force()
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2019-08-01
Paul Bauer
Merge release-2019 into master
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diff to current
2019-07-11
Pascal Merz
Remove dependence of compute_globals on t_state
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diff to current
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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2019-04-17
Berk Hess
Simplify vsite PBC handling
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2019-03-28
Mark Abraham
Move DomdecOptions into its own header
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diff to current
2019-03-07
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-06
Mark Abraham
Revert "Eliminate mdlib/mdrun.h"
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diff to current
2019-03-06
Mark Abraham
Eliminate mdlib/mdrun.h
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diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
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diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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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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