descriptionLocal GROMACS mirror with custom stuff
ownerAlexey Shvetsov
last changeFri, 5 Nov 2021 15:59:14 +0000 (15:59 +0000)
shortlog
2021-11-05 Andrey AlekseenkoSYCL: Avoid using no_init read accessor in rocFFT master
2021-11-05 Szilárd PállSplit simulationWork.useGpuBufferOps into separate...
2021-11-05 Mark AbrahamPermit tests to specify the refdata filename
2021-11-04 Szilárd PállMake stepWorkload.useGpuXBufferOps flag consistent
2021-11-04 Andrey AlekseenkoRemove unused environment variables from docs
2021-11-04 M. Eric IrrgangFix typo.
2021-11-04 Berk HessClean up index handing in make_bondeds_zone
2021-11-03 Andrey AlekseenkoUnify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE...
2021-11-03 Magnus LundborgUpdate mdrun message to reflect that Cuda CC>=3.5 is...
2021-11-03 Magnus LundborgAdd TNG to trjconv doc and more details about TNG selec...
2021-11-03 Andrey AlekseenkoDisable fastmath with OpenCL on Intel devices
2021-11-03 Mark AbrahamUse CMake to propagate versions and hashes to gitlab...
2021-11-03 Andrey AlekseenkoFix CUDA clang-tidy complaints
2021-11-03 Mark AbrahamImprove MessageStringCollector
2021-11-03 Andrey AlekseenkoAvoid allocating SYCL buffer on each call to PME solve
2021-11-03 Andrey AlekseenkoFix random typos
...
heads
12 months ago bio-pnpi/dssp-update
13 months ago hbond
15 months ago main
16 months ago densgrid-2022
16 months ago dssp
18 months ago densgrid
2 years ago master
2 years ago fit-cpp
3 years ago sans
3 years ago sans-2021
7 years ago rcore
7 years ago pygromacs_v2
7 years ago domains
7 years ago pygromacs_v2-2016
8 years ago rvec_ops
8 years ago nse-5.0
...