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nblib-listedforces-full-diff
8f47eaf4
·
Merge branch 'master' of
https://gitlab.com/gromacs/gromacs
into nblib-listedforces-full-diff
·
Aug 26, 2021
4099_MiscImprovementsToSettleGpu
fd8b5bb1
·
Use resiprocal sqrt instead of division
·
Aug 24, 2021
sim_util_ChangeConditionalOnLocalXReadyOnDevice
b442ed97
·
Initialize the stateGPU object if update will run on the GPU
·
Aug 24, 2021
cuda_AddAssertsOnProperDeviceIsSet
24615b2d
·
Clang-format
·
Aug 24, 2021
betterTestAndConfigTransformationCoords
f4f8b7cb
·
Added a simple test case for transformation pull coordinates
·
Aug 19, 2021
ejj-nblib-createNbnxmGPU
66bf2a6d
·
fix tests
·
Aug 18, 2021
aa-2527-unify-gpu-event-synchronizer
0e123994
·
Fix CPU-only build
·
Aug 17, 2021
StatePropagatorDataGpu_AddBasicStateTrackingToHostCoordinatesBuffer
004fb36c
·
Group positions state trackers into an enum array
·
Aug 17, 2021
make-automatic-release-build
cf242c13
·
Fix deployment paths and revert DRY_RUN addition
·
Aug 17, 2021
nblib-nbcalculator-updates
39fbcf09
·
Rework nblib nonbonded force calculator backend
·
Aug 17, 2021
rs-sycl-2020-deprecated
e591aa94
·
Fix hipSYCL
·
Aug 13, 2021
nblib-full-diff
80c7a762
·
Merge branch 'nblib-full-diff' of
https://gitlab.com/gromacs/gromacs
into nblib-full-diff
·
Aug 10, 2021
sz_enable-gpu-event-tracking-in-cuda-mix-max-count
42f8329f
·
GpuEventSynchronizer constructor tweaks
·
Aug 09, 2021
erik.lindahl-master-patch-47071
0bc3e3bc
·
Update LICENSE
·
Aug 02, 2021
erik.lindahl-master-patch-52067
af4f5574
·
Update LICENSE
·
Aug 02, 2021
2021/ddorder_pp_pme
1eb79522
·
domdec: correctly populate ddanks when -ddorder pp_pme is used
·
Jul 30, 2021
gg_pme_gpu_decomposition
e27c85c9
·
Implements PME GPU decomposition
·
Jul 28, 2021
ag_benchmark_jul21
24d357b0
·
further addressed comments
·
Jul 23, 2021
pull-test
549fdcd0
·
Revert spc216.ndx
·
Jul 06, 2021
unitTestTransformationCoords
0872db5e
·
Accepting missing cgroups MDP option for transformation coords
·
Jul 04, 2021
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