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Split simulationWork.useGpuBufferOps into separate x and f flags
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdtypes
/
forcerec.h
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-23
ejjordan
Make CpuPpLongRangeNonbondeds class
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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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2021-06-16
Joe Jordan
Use unique_ptr<ListedForcesGpu> in forcerec
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2021-06-04
Mark Abraham
Convert atomInfo to int64_t
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2021-06-04
Szilárd Páll
Move useMts flag from forcerec to simulationWorkload
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2021-06-03
Mark Abraham
Remove preprocessor usage for atomInfo
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2021-05-31
Mark Abraham
Partial renaming of cginfo to atom info
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2021-05-27
Artem Zhmurov
Rename GpuBonded into ListedForcesGpu
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-12
Joe Jordan
Expose init_interaction_const and move to correct heade...
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2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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2021-04-10
ejjordan
Minor forcerec cleanup
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2021-03-30
kanduri
Turn t_forcerec.shift_vec into an std::vector of gmx...
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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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2021-02-22
Joe Jordan
Hold unique_ptr to gmx_ewald_tab_t in forcerec
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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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2021-02-12
Sebastian Kehl
Fix leaked memory created in make_ljpme_c6grid.
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-11
Joe Jordan
Use unique_ptr for tables
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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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2020-09-30
Berk Hess
Move computeSlowForces into stepWork
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2020-09-29
Alan Gray
Redevelopment of GPU Force Reduction/Buffer Ops
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2020-09-18
Berk Hess
Remove cutoff_scheme from t_forcerec and interaction_co...
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2020-09-17
Berk Hess
Move bNonbonded flag from t_forcerec to SimulationWorkload
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2020-09-02
Berk Hess
Enable splitting of listed interaction calculation
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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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2020-06-22
Berk Hess
Move soft-core parameters to interaction_const_t
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2020-05-12
Berk Hess
Extract helper force buffers to a separate class
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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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2020-03-25
Artem Zhmurov
Make use of the DeviceStreamManager
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2020-03-18
Berk Hess
Add WholeMoleculeTransform class
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2020-03-16
Christian Blau
Remove dysfunctional QMMM interface pt2
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2020-03-11
Szilárd Páll
Reorganize dipole calculation in do_force
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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 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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2020-02-23
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
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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2019-11-30
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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2019-10-01
Artem Zhmurov
StatePropagatorDataGpu object to manage GPU forces...
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2019-09-30
Carsten Kutzner
Move ForceProviders class into the gmx namespace
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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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2019-09-16
Berk Hess
Remove obsolete mdp option ns-type
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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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2019-08-01
Berk Hess
Remove a pointer in t_forcerec
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-28
Berk Hess
Removed generalized reaction-field
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-30
Berk Hess
Add con/destructor for t_forcetable
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2019-04-30
Berk Hess
Convert DispersionCorrection to a class
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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
Remove group scheme search code
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2019-04-16
Szilárd Páll
Remove "coarse load balancing vars" from forcerec
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2019-03-21
Szilárd Páll
Reorder PBC setup in do_force_lowlevel
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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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2019-02-27
Berk Hess
Use new/delete for t_forcerec
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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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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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2018-12-19
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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2018-11-28
Mark Abraham
Introduce GpuBonded
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-23
Berk Hess
Add missing constraint term to deltaH
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2018-10-12
Berk Hess
Implement assigning bondeds to the GPU
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2018-10-08
Mark Abraham
Implement PaddedVector
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biod.pnpi.spb.ru / alexxy / gromacs.git / history