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Split simulationWork.useGpuBufferOps into separate x and f flags
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
forcerec.h
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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2021-06-04
Szilárd Páll
Move useMts flag from forcerec to simulationWorkload
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2021-05-25
Joe Jordan
Only Pass needed data to nonbonded param setup in forcerec
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-23
Joe Jordan
Use verbose names in init_forcerec
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2021-02-17
ejjordan
Remove dead function declarations from forcerec
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2021-02-17
ejjordan
Use const ref to mtop in init_forcerec
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2021-02-16
Joe Jordan
Use const ref to inputrec in do_force
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2021-02-15
Sebastian Kehl
Expose mk_nbfp and make_ljpme_c6grid.
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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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2020-12-10
Berk Hess
A check for perturbed listed pairs beyond rlist
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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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2020-09-07
Artem Zhmurov
Access the device status directly, remove the getter
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-06-24
Berk Hess
Add class ListedForces
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-23
Paul Bauer
Make clang-tidy script more robust
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2020-04-17
Christian Blau
proposed fix for redmine bug #3403
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2020-03-11
Artem Zhmurov
Take over management of OpenCL context from PME and...
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2020-03-04
Paul Bauer
Merge "Merge branch release-2020 into master"
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-03-03
Artem Zhmurov
Move the PmePPCommGpu initialization from forcerec...
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-27
Pascal Merz
Extract and expose function to determine whether molecu...
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2020-02-23
ejjordan
Use more forward declarations to removed header depende...
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2020-02-06
Artem Zhmurov
Move DeviceInfo into GPU traits
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2020-02-05
Artem Zhmurov
Move non-bonded initialization out of the forcerec
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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
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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2019-11-30
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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2019-10-15
Alan Gray
PME/PP GPU Pimpl Class and GPU->CPU Communication for...
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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
Paul Bauer
Merge branch release-2019 into master
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2019-09-19
Berk Hess
Remove charge group data from t_forcerec
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-31
Szilárd Páll
Move cycle counting into the GPU bonded module
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2019-07-29
Berk Hess
Remove LJ Ewald correction tables
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2019-07-28
Berk Hess
Removed generalized reaction-field
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2019-07-25
Szilárd Páll
Only stop the CUDA profiler if there are devices
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2019-07-02
Kevin Boyd
Remove references to ecutsGROUP
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-17
Berk Hess
Remove group scheme search code
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-27
Berk Hess
Use new/delete for t_forcerec
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2019-02-27
Berk Hess
Collect dispersion correction code
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2019-02-21
Berk Hess
Simplify make_pairlist() call signature
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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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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2019-01-07
Mark Abraham
Finish removing group-scheme all-vs-all support
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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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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2018-10-31
Jonathan Vincent
Add CUDA bonded kernels
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-16
Mark Abraham
Task assignment for bonded interactions on CUDA GPUs
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-05-25
Mark Abraham
Clean up force.h and its use
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-28
Mark Abraham
Free more memory in grompp and mdrun
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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-13
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-06
Berk Hess
Convert t_filenm to C++
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-09
Mark Abraham
Merge branch release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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