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sz_allow-mts-with-pme-gpu
e6e1f230
·
bug fix
·
Oct 08, 2021
master-backup
d6abe491
·
Clang-format.
·
Oct 05, 2021
sz_fix_nb_free_energy_kernel
e693607a
·
clang format
·
Sep 30, 2021
sz_nbnxm-unrooll-jm-on-nvidia-ampere
6660d364
·
[WIP] Unroll jm loop in the nbnxm interaction kernels on Ampere
·
Sep 28, 2021
az_3988_sim_utils_DoNotWaitForPMEForcesEventInCaseSlowForcesAreNotComputedThisStep
bf7b2ef4
·
Remove the conditional on registering PME forces
·
Sep 27, 2021
rs-muparser
b1529ab7
·
Fix muparser internal on Windows
·
Sep 24, 2021
az_3988_sim_utils_OnlyWaitForNonLocalCoordinatesCopyOnStepsWhereTheyWereCopied
7857536c
·
Do not wait for non-local coordinates D2H copy on search steps
·
Sep 24, 2021
aa-copy-coords-for-pull
f6fcc92b
·
Copy coordinates to host for transformation pull coordinates
·
Sep 24, 2021
mja-swap-partly-modernize
d07c3aba
·
Partly modernize swap code
·
Sep 23, 2021
aa-2527-enable-accounting-for-cuda
aab1ec44
·
Fix incorrect event dependency of GPU update
·
Sep 21, 2021
sz_pme_decomposition_hybrid-halo-atom-displacement
021ae086
·
clang-format
·
Sep 20, 2021
sycl-release-2021
0aea5c2b
·
Merge tag 'v2021.3' into sycl-release-2021
·
Sep 16, 2021
mja-hack-to-use-rng-in-cuda
67fee5c0
·
Work around std::array for gcc
·
Sep 15, 2021
test-gpu-ci
81eddb0b
·
Test Kubernetes GPU assignments
·
Sep 13, 2021
fix-mdrun-fep-tests
a0e6b8b1
·
Set nstdhdl to nstcalcenergy in mdrun fep tests
·
Sep 08, 2021
refactoringForGapsysSoftcore
d9ac3b6f
·
Refactoring of the nonbonded free energy kernel to enable easier...
·
Sep 06, 2021
2021.2-qmmm
ae17df8e
·
Added CP2K related options to CMake files
·
Sep 06, 2021
mja-refactor-devflags
0d24637f
·
Apply 2 suggestion(s) to 1 file(s)
·
Sep 04, 2021
addSupportMetaPullCoordinates
dc8f0f8c
·
Changed relative accuracy in transformation pull coord test to 1e-5
·
Sep 03, 2021
nblib-listed-calculator-updates
cbdd1df3
·
address review
·
Aug 26, 2021
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