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sycl-nbnxm-kernels-unoptimized-ishfl
4fd0f0e4
·
Try using shuffles in reduceForceIAndFShift
·
Jan 20, 2021
kevinboyd-rmpbc
eb38189f
·
Allow PBC removal with InteractionDefinitions and t_idef
·
Jan 17, 2021
update-cmap-cpu-kernel
1226fbf3
·
CUDA CMAP kernel
·
Jan 15, 2021
ptmerz-avoid-shell-comm-removal
da8e42f7
·
Avoid COM motion removal from shell particles
·
Jan 12, 2021
sz_r21_update_URLs
64b2b079
·
[WIP] Update download URLs to https
·
Dec 31, 2020
ejj-calculate-virial
3faf5d03
·
Apply 1 suggestion(s) to 1 file(s)
·
Dec 17, 2020
ejj-format-sim_util-calcvir
5d4f792e
·
undo line add
·
Dec 16, 2020
restore-clang-format
e404be40
·
Restore clang-format
·
Dec 16, 2020
2021-awhsymm-fepsimd-fixes
e48e607c
·
Option to make AWH pull coordinate dimensions symmetric
·
Dec 11, 2020
sycl-nbnxm-part3
8caec7c1
·
Minor clean-up
·
Dec 08, 2020
2961_gmx_path_help
eb045eba
·
Allow gmxapi.commandline.cli to check GMXBIN.
·
Dec 04, 2020
2961_get_config
4f4f711f
·
Let gmxapi.commandline access GROMACS installation details.
·
Dec 04, 2020
3716-incrememnt-python-requirement
8ccdad25
·
Use venv for docs CI image.
·
Dec 04, 2020
splitLoggingStreams
a4318023
·
Fix compiler warnings
·
Dec 03, 2020
awh_symmetric_full_range_improved
f3c06345
·
Option to make AWH coordinate dimensions symmetric
·
Dec 02, 2020
3288-header-relocation
96162747
·
Fix installation
·
Dec 02, 2020
IFrameConverter
3e6a437c
·
Merge branch 'origin/master' into IFrameConverter
·
Dec 02, 2020
sz_move-energy-coservation-log-print
24502502
·
Move energy conservation log output
·
Nov 26, 2020
fscavg
f8f016d0
·
Make jensenShannon similarity impl const
·
Nov 24, 2020
3288-policy
58f5c06f
·
Merge branch 'origin/release-2021' into merge-2021-into-master
·
Nov 24, 2020
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