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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp
2020-09-08 Paul BauerMove densityfitting to its own directory commit | commitdiff
2020-09-02 Berk HessMove listed and wall forces out of do_force_lowlevel() commit | commitdiff
2020-09-02 Berk HessEnable splitting of listed interaction calculation commit | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master commit | commitdiff
2020-08-27 Berk HessAdd ForceBuffers class commit | commitdiff
2020-08-20 Magnus LundborgMake it possible to use FEP lambda states as a reaction... commit | commitdiff
2020-08-04 Erik LindahlSimplified uniform GPU selection in CMake commit | commitdiff
2020-07-31 Berk HessMove foreign potential energy accumulation commit | commitdiff
2020-07-20 Magnus LundborgTwo sets of coefficients for Coulomb FEP PME on GPU commit | commitdiff
2020-07-06 Berk HessMove foreign potential energy accumulation commit | commitdiff
2020-06-26 Berk HessMove dispersion correction call to do_force() commit | commitdiff
2020-06-24 Berk HessAdd class ListedForces commit | commitdiff
2020-05-23 Artem ZhmurovRemove dependence on t_mdatoms from pull code commit | commitdiff
2020-05-20 Berk HessRemove t_mdatoms from Nbnxm setAtomProperties() commit | commitdiff
2020-05-14 Berk HessExtract postProcessForceWithShiftForces() commit | commitdiff
2020-05-12 Berk HessExtract helper force buffers to a separate class commit | commitdiff
2020-05-12 Berk HessRefactor virtual site interface commit | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master commit | commitdiff
2020-04-27 Artem ZhmurovMove PBC setup out of the launchKernel(...) in GPU... commit | commitdiff
2020-04-27 Mark AbrahamImproved some logic in do_force commit | commitdiff
2020-04-06 Berk HessMove force buffer resizing to mdsetup commit | commitdiff
2020-03-18 Berk HessRemove use of graph in do_force() commit | commitdiff
2020-03-18 Berk HessUse WholeMoleculeTransform for orires and epsilon-surface commit | commitdiff
2020-03-18 Berk HessAdd WholeMoleculeTransform class commit | commitdiff
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt2 commit | commitdiff
2020-03-11 Szilárd PállReorganize dipole calculation in do_force commit | commitdiff
2020-03-05 Mark AbrahamSimplify PME step workload management commit | commitdiff
2020-03-05 Berk HessAdd InteractionDefinitions commit | commitdiff
2020-03-04 Alan GrayFix seg fault caused by unintended GPU PME coordinate... commit | commitdiff
2020-03-04 Paul BauerMerge "Merge branch release-2020 into master" commit | commitdiff
2020-03-04 Paul BauerMerge branch release-2020 into master commit | commitdiff
2020-03-03 Alan GrayAllow PME coordinate send before H2D coordinate transfer commit | commitdiff
2020-03-03 Magnus LundborgStore dHdL for all neighbor lambdas commit | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 commit | commitdiff
2020-02-23 ejjordanUse more forward declarations to removed header depende... commit | commitdiff
2020-02-23 Mark AbrahamRemoved unused PME gather functionality commit | commitdiff
2020-02-17 Szilárd PállAdd simulation workload flag for dipole computation commit | commitdiff
2020-02-15 Alan GrayMultiple pulses for GPU Halo Exchange commit | commitdiff
2020-02-01 Artem ZhmurovMerge "Merge branch origin/release-2020 into master" commit | commitdiff
2020-01-31 Szilárd PállEliminate the legacyFlags manipulation in do_force() commit | commitdiff
2020-01-31 Szilárd PállRemove BufferOpsUseGpu enum commit | commitdiff
2020-01-29 Artem ZhmurovRemove the rest of the device coordinates management... commit | commitdiff
2020-01-28 Paul BauerMerge branch origin/release-2020 into master commit | commitdiff
2020-01-16 Mark AbrahamMake nbnxm headers more self-contained commit | commitdiff
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class commit | commitdiff
2020-01-09 Mark AbrahamClean up ewald module internals commit | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 commit | commitdiff
2020-01-07 Paul BauerMerge branch origin/release-2020 into master commit | commitdiff
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master commit | commitdiff
2019-12-31 Artem ZhmurovFix gpuupdate matrix commit | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 commit | commitdiff
2019-12-18 Alan GrayFix conditional on assertion for combining GPU Update... commit | commitdiff
2019-12-18 Szilárd PállAllow x D2H to overlap with GPU force compute commit | commitdiff
2019-12-16 Berk HessUse ListOfLists in gmx_mtop_t and gmx_localtop_t commit | commitdiff
2019-12-12 Szilárd PállAllow overlapping CPU force H2D with compute commit | commitdiff
2019-12-12 Paul BauerMerge branch 'origin/release-2020' into master commit | commitdiff
2019-12-12 Artem ZhmurovAllow using GPU update with DD and update groups commit | commitdiff
2019-11-30 Paul BauerMerge origin/release-2020 into master commit | commitdiff
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 commit | commitdiff
2019-11-28 Artem ZhmurovFix pressure coupling with GPU update commit | commitdiff
2019-11-27 Alan GrayEvent-based Dependency for GPU Force Halo Exchange commit | commitdiff
2019-11-26 Alan GrayBug fix for nonlocal D2H coordinate transfer synchroniz... commit | commitdiff
2019-11-21 Mark AbrahamMerge branch release-2020 commit | commitdiff
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020 commit | commitdiff
2019-11-15 ejjordanFuse two adjacent neighbor search branches in do_force commit | commitdiff
2019-11-14 ejjordanRemove useGpuNonbonded from launchGpuEndOfStepTasks... commit | commitdiff
2019-11-07 Paul BauerApply clang-format to source tree commit | commitdiff
2019-11-01 Alan GrayRemove energy step dependence on GPU force buffer ops commit | commitdiff
2019-11-01 Berk HessAdd haveEwaldSurfaceContribution to SimulationWorkload commit | commitdiff
2019-10-31 Alan GrayBug fix for event passed to GPU comm features commit | commitdiff
2019-10-31 Artem ZhmurovRemove excessive H2D and D2H copies of forces when... commit | commitdiff
2019-10-30 Berk HessFix walls with GPU update commit | commitdiff
2019-10-29 Berk HessFix Ewald dipole correction with GPU update commit | commitdiff
2019-10-29 Paul BauerMerge "Merge branch 'release-2019' into master" commit | commitdiff
2019-10-29 Paul BauerMerge branch 'release-2019' into master commit | commitdiff
2019-10-28 Artem ZhmurovFix missing coordinate D2H copy with GPU update and... commit | commitdiff
2019-10-28 Artem ZhmurovAdd haveCpuLocalForces flag to DomainLifetimeWorkload commit | commitdiff
2019-10-28 Szilárd PállExtend SimulationWorkload with CPU flags commit | commitdiff
2019-10-23 Berk HessMove locality.h from nbnxm to mdtypes commit | commitdiff
2019-10-23 Berk HessUse gmx::Range in Nbnxm gridding functions commit | commitdiff
2019-10-22 Artem ZhmurovRename havePositionRestraints(...) to haveRestraints... commit | commitdiff
2019-10-21 Alan GrayGPU Coordinate PME/PP Communications commit | commitdiff
2019-10-18 Alan GrayGPU Receive for PME/PP GPU Force Communications commit | commitdiff
2019-10-18 Artem ZhmurovRemove excessive H2D and D2H coordinates copies when... commit | commitdiff
2019-10-17 Szilárd PállEliminate spurious GPU->CPU copy commit | commitdiff
2019-10-16 Szilárd PállMake the wait on nonbonded GPU results conditional commit | commitdiff
2019-10-15 Szilárd PállTrigger synchronizer when local forces are ready commit | commitdiff
2019-10-15 Alan GrayPME/PP GPU Pimpl Class and GPU->CPU Communication for... commit | commitdiff
2019-10-15 Szilárd PállLink GPU coordinate producer and consumer tasks commit | commitdiff
2019-10-13 Szilárd PállEnable StatePropagatorGpuData for force transfers commit | commitdiff
2019-10-13 Szilárd PállMove buffer ops / PME F reduction flags into StepWorkload commit | commitdiff
2019-10-12 Artem ZhmurovCentralize management of forces ready on GPU event commit | commitdiff
2019-10-12 Berk HessAdd class FixedCapacityVector commit | commitdiff
2019-10-11 Artem ZhmurovWrong locality was used when ignoring the PME force... commit | commitdiff
2019-10-10 Szilárd PállMigrate code to using SimulationWorkload flags commit | commitdiff
2019-10-10 Szilárd PállRemove incorrect GPU task dependency commit | commitdiff
2019-10-10 Szilárd PállPass list of EventSynchronizers to GPU reduction commit | commitdiff
2019-10-10 Paul BauerBasic population of simulation workload commit | commitdiff
2019-10-08 Berk HessMake nbnxm a proper module commit | commitdiff
2019-10-08 Prashanth KanduriFused two if branches with the same conditional commit | commitdiff
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