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make-automatic-release-build
cf242c13
·
Fix deployment paths and revert DRY_RUN addition
·
Aug 17, 2021
StatePropagatorDataGpu_AddBasicStateTrackingToHostCoordinatesBuffer
004fb36c
·
Group positions state trackers into an enum array
·
Aug 17, 2021
aa-2527-unify-gpu-event-synchronizer
0e123994
·
Fix CPU-only build
·
Aug 17, 2021
ejj-nblib-createNbnxmGPU
66bf2a6d
·
fix tests
·
Aug 18, 2021
betterTestAndConfigTransformationCoords
f4f8b7cb
·
Added a simple test case for transformation pull coordinates
·
Aug 19, 2021
cuda_AddAssertsOnProperDeviceIsSet
24615b2d
·
Clang-format
·
Aug 24, 2021
sim_util_ChangeConditionalOnLocalXReadyOnDevice
b442ed97
·
Initialize the stateGPU object if update will run on the GPU
·
Aug 24, 2021
4099_MiscImprovementsToSettleGpu
fd8b5bb1
·
Use resiprocal sqrt instead of division
·
Aug 24, 2021
nblib-listedforces-full-diff
8f47eaf4
·
Merge branch 'master' of
https://gitlab.com/gromacs/gromacs
into nblib-listedforces-full-diff
·
Aug 26, 2021
nblib-listed-calculator-updates
cbdd1df3
·
address review
·
Aug 26, 2021
addSupportMetaPullCoordinates
dc8f0f8c
·
Changed relative accuracy in transformation pull coord test to 1e-5
·
Sep 03, 2021
mja-refactor-devflags
0d24637f
·
Apply 2 suggestion(s) to 1 file(s)
·
Sep 04, 2021
2021.2-qmmm
ae17df8e
·
Added CP2K related options to CMake files
·
Sep 06, 2021
refactoringForGapsysSoftcore
d9ac3b6f
·
Refactoring of the nonbonded free energy kernel to enable easier...
·
Sep 06, 2021
fix-mdrun-fep-tests
a0e6b8b1
·
Set nstdhdl to nstcalcenergy in mdrun fep tests
·
Sep 08, 2021
test-gpu-ci
81eddb0b
·
Test Kubernetes GPU assignments
·
Sep 13, 2021
mja-hack-to-use-rng-in-cuda
67fee5c0
·
Work around std::array for gcc
·
Sep 15, 2021
sycl-release-2021
0aea5c2b
·
Merge tag 'v2021.3' into sycl-release-2021
·
Sep 16, 2021
sz_pme_decomposition_hybrid-halo-atom-displacement
021ae086
·
clang-format
·
Sep 20, 2021
aa-2527-enable-accounting-for-cuda
aab1ec44
·
Fix incorrect event dependency of GPU update
·
Sep 21, 2021
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