BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2020-11-29	Paul Bauer	Fix build on CentOS 7	commit \| commitdiff \| tree \| snapshot
2020-11-27	M. Eric Irrgang	Import setuptools early to suppress distutils warning.	commit \| commitdiff \| tree \| snapshot
2020-11-25	Paul Bauer	Fix cyclecounters on x32	commit \| commitdiff \| tree \| snapshot
2020-11-25	Paul Bauer	Fix error with links in docs	commit \| commitdiff \| tree \| snapshot
2020-11-25	Gilles Gouaillardet	Fix frexp() for ARM SVE SIMD	commit \| commitdiff \| tree \| snapshot
2020-11-24	Mark Abraham	Stop GoogleTest requiring ancient CMake minimum versions	commit \| commitdiff \| tree \| snapshot
2020-11-24	Erik Lindahl	Fix frexp() for ARM neon SIMD.	commit \| commitdiff \| tree \| snapshot
2020-11-24	Paul Bauer	Merge branch 'origin/release-2020' into merge-2020...	commit \| commitdiff \| tree \| snapshot
2020-11-24	Paul Bauer	Fix gmx h2order -d option	commit \| commitdiff \| tree \| snapshot
2020-11-24	Erik Lindahl	Make sure frexp() returns correct for argument 0.0	commit \| commitdiff \| tree \| snapshot
2020-11-24	Artem Zhmurov	Improve handling of CUDA API errors	commit \| commitdiff \| tree \| snapshot
2020-11-23	Paul Bauer	Fixes for Intel and container build fixes	commit \| commitdiff \| tree \| snapshot
2020-11-23	Magnus Lundborg	Properly check if there are perturbed constraints or...	commit \| commitdiff \| tree \| snapshot
2020-11-23	Artem Zhmurov	Make corresponding device active before each TestDevice...	commit \| commitdiff \| tree \| snapshot
2020-11-23	M. Eric Irrgang	Look for the various possible names of the gromacs...	commit \| commitdiff \| tree \| snapshot
2020-11-23	Artem Zhmurov	Remove coolquote that sounds offensive without context	commit \| commitdiff \| tree \| snapshot
2020-11-17	Joe Jordan	Remove some extraneous compiler flags from nblib	commit \| commitdiff \| tree \| snapshot
2020-11-13	Gilles Gouaillardet	Detect ARM SVE Vector length if possible	commit \| commitdiff \| tree \| snapshot
2020-11-12	Paul Bauer	Fix thread mpi linking for mdrun only build	commit \| commitdiff \| tree \| snapshot
2020-11-12	Paul Bauer	Restore correct dynamics linking behaviour	commit \| commitdiff \| tree \| snapshot
2020-11-11	Paul Bauer	Fix gmx do_dssp CHARMM support	commit \| commitdiff \| tree \| snapshot
2020-11-11	Szilárd Páll	Fix gcc 9 "warning: ‘unused’ attribute ignored"	commit \| commitdiff \| tree \| snapshot
2020-11-11	Paul Bauer	Fix segmentation fault in gmx pairdist	commit \| commitdiff \| tree \| snapshot
2020-11-11	Paul Bauer	Second GROMACS 2021 beta release	commit \| commitdiff \| tree \| snapshot
2020-11-11	Berk Hess	Update gmx msd documentation	commit \| commitdiff \| tree \| snapshot
2020-11-10	Andrey Alekseenko	Fix "GMX_CUDA\|OCL_NB_EWALD_TWINCUT is disabling twin...	commit \| commitdiff \| tree \| snapshot
2020-11-10	Paul Bauer	Disable failing NB-LIB listed forces tests	commit \| commitdiff \| tree \| snapshot
2020-11-10	kanduri	NBLIB: Fix build warning from uninitialized array	commit \| commitdiff \| tree \| snapshot
2020-11-10	Szilárd Páll	GPU codepath cycle counting fixes	commit \| commitdiff \| tree \| snapshot
2020-11-10	Mark Abraham	Add move operations to GpuHaloExchange	commit \| commitdiff \| tree \| snapshot
2020-11-10	Berk Hess	Fix dHdl and foreign energy clearing at checkpointing	commit \| commitdiff \| tree \| snapshot
2020-11-10	Pascal Merz	Fix MTTK constant energy bugs	commit \| commitdiff \| tree \| snapshot
2020-11-09	Andrey Alekseenko	Add SYCL implementation of LeapFrogGpu	commit \| commitdiff \| tree \| snapshot
2020-11-09	Joe Jordan	Add backend for nblib listed forces API	commit \| commitdiff \| tree \| snapshot
2020-11-09	Paul Bauer	Use images from GitLab docker repository	commit \| commitdiff \| tree \| snapshot
2020-11-09	Andrey Alekseenko	Fix intemittent MdrunIOTests segfault	commit \| commitdiff \| tree \| snapshot
2020-11-09	Artem Zhmurov	Remove source file that is no longer in use	commit \| commitdiff \| tree \| snapshot
2020-11-09	Szilárd Páll	Fix cycle counting in StatePropagatorDataGpu	commit \| commitdiff \| tree \| snapshot
2020-11-09	Berk Hess	Move implementation to cpp file	commit \| commitdiff \| tree \| snapshot
2020-11-09	Alan Gray	Use dynamically allocated unique pointers for GPU halo...	commit \| commitdiff \| tree \| snapshot
2020-11-06	Andrey Alekseenko	Suggest environment variable to limit visible SYCL...	commit \| commitdiff \| tree \| snapshot
2020-11-06	Artem Zhmurov	Fix doxygen comments formattig in update.h	commit \| commitdiff \| tree \| snapshot
2020-11-05	Paul Bauer	Allow pdb2gmx to handle cyclic molecules	commit \| commitdiff \| tree \| snapshot
2020-11-05	Paul Bauer	Allow CUDA build tests to succeed without GPU	commit \| commitdiff \| tree \| snapshot
2020-11-05	Mark Abraham	Stop showing wrong README on GitHub front page	commit \| commitdiff \| tree \| snapshot
2020-11-05	Paul Bauer	Limit parallelism in Github CI	commit \| commitdiff \| tree \| snapshot
2020-11-05	Berk Hess	Disable MTS with SD integrator	commit \| commitdiff \| tree \| snapshot
2020-11-05	Magnus Lundborg	Set pbcatom_input in order to pass later checks	commit \| commitdiff \| tree \| snapshot
2020-11-05	Berk Hess	Copy position restraint parameters with MTS	commit \| commitdiff \| tree \| snapshot
2020-11-05	Mark Abraham	Improve issues with CUDA interacting with std flags	commit \| commitdiff \| tree \| snapshot
2020-11-04	Alan Gray	Allow GPU update without GPU DD	commit \| commitdiff \| tree \| snapshot
2020-11-04	Mark Abraham	Fix use of config.h in halo exchange tests	commit \| commitdiff \| tree \| snapshot
2020-11-04	Mark Abraham	Remove logging from hardware detection	commit \| commitdiff \| tree \| snapshot
2020-11-04	Joe Jordan	NBLIB listed forces API update	commit \| commitdiff \| tree \| snapshot
2020-11-03	Alan Gray	Add more halo exchange unit test variations	commit \| commitdiff \| tree \| snapshot
2020-11-03	Szilárd Páll	Add missing wallcycle_stop	commit \| commitdiff \| tree \| snapshot
2020-11-03	Alan Gray	Extend halo exchange unit test to GPU codepath	commit \| commitdiff \| tree \| snapshot
2020-11-03	Gilles Gouaillardet	timing: try to directly retrieve gmx_cycles_calibrate...	commit \| commitdiff \| tree \| snapshot
2020-11-03	Magnus Lundborg	Remove TODO regarding AWH cover threshold along lambda...	commit \| commitdiff \| tree \| snapshot
2020-11-03	Artem Zhmurov	Make the message why GPU bondeds are not available...	commit \| commitdiff \| tree \| snapshot
2020-11-03	Paul Bauer	Add Clang CUDA build to CI	commit \| commitdiff \| tree \| snapshot
2020-11-02	ejjordan	Update to nblib non-bonded backend	commit \| commitdiff \| tree \| snapshot
2020-11-02	Andrey Alekseenko	Rework handling of PATH-like variables in GMXRC.bash/zsh	commit \| commitdiff \| tree \| snapshot
2020-11-02	M. Eric Irrgang	Remove an unnecessary transitive dependency of imported...	commit \| commitdiff \| tree \| snapshot
2020-10-30	Paul Bauer	Fix unused variable warnings	commit \| commitdiff \| tree \| snapshot
2020-10-30	Paul Bauer	Add missing fix for Clang CUDA	commit \| commitdiff \| tree \| snapshot
2020-10-30	Paul Bauer	Fix build issues with Clang CUDA	commit \| commitdiff \| tree \| snapshot
2020-10-30	Joe Jordan	Introduce nblib versioning	commit \| commitdiff \| tree \| snapshot
2020-10-30	Andrey Alekseenko	Rework handling of PATH-like variables in GMXRC.bash/zsh	commit \| commitdiff \| tree \| snapshot
2020-10-30	Szilárd Páll	Clang format	commit \| commitdiff \| tree \| snapshot
2020-10-30	Szilárd Páll	Add fvec doxygen	commit \| commitdiff \| tree \| snapshot
2020-10-30	Szilárd Páll	Fix AMD OpenCL float3 array optimization bug	commit \| commitdiff \| tree \| snapshot
2020-10-29	Paul Bauer	Fix CUDA code issues	commit \| commitdiff \| tree \| snapshot
2020-10-29	Paul Bauer	Default initialize pull datastructures	commit \| commitdiff \| tree \| snapshot
2020-10-28	Andrey Alekseenko	Make dispatchTemplatedFunction compatible with MSVC	commit \| commitdiff \| tree \| snapshot
2020-10-28	Berk Hess	Correct AWH initial histogram size	commit \| commitdiff \| tree \| snapshot
2020-10-28	Gilles Gouaillardet	options: add the eftCSV OptionFileType	commit \| commitdiff \| tree \| snapshot
2020-10-28	Andrey Alekseenko	Add dispatchTemplatedFunction	commit \| commitdiff \| tree \| snapshot
2020-10-27	Paul Bauer	Fix remaining clang tidy issues with OpenCL	commit \| commitdiff \| tree \| snapshot
2020-10-27	Paul Bauer	Mix minor clang-tidy warning in double	commit \| commitdiff \| tree \| snapshot
2020-10-27	M. Eric Irrgang	Use the correct CI script for sample_restraint jobs.	commit \| commitdiff \| tree \| snapshot
2020-10-27	Szilárd Páll	Fix clang-tidy v10 warnigns in OpenCL kernels	commit \| commitdiff \| tree \| snapshot
2020-10-27	M. Eric Irrgang	Normalize FindMPI hints.	commit \| commitdiff \| tree \| snapshot
2020-10-27	M. Eric Irrgang	Clarify behavior of LegacyMdrunOptions.	commit \| commitdiff \| tree \| snapshot
2020-10-27	M. Eric Irrgang	Update image names in job definitions.	commit \| commitdiff \| tree \| snapshot
2020-10-27	Artem Zhmurov	Remove unused velocity scaling enum value	commit \| commitdiff \| tree \| snapshot
2020-10-27	Paul Bauer	Don't deploy nightly webpages	commit \| commitdiff \| tree \| snapshot
2020-10-26	M. Eric Irrgang	Tell gmxapi to look for MPI, when appropriate.	commit \| commitdiff \| tree \| snapshot
2020-10-26	Roland Schulz	Make install-guide MPI consistent	commit \| commitdiff \| tree \| snapshot
2020-10-26	Artem Zhmurov	Clear constraints RMSD values upon domains reset	commit \| commitdiff \| tree \| snapshot
2020-10-24	Paul Bauer	Disallow OpenMP on Windows in CI	commit \| commitdiff \| tree \| snapshot
2020-10-24	Szilárd Páll	Exclude CUDA 10.2 as well from C++17 compilation	commit \| commitdiff \| tree \| snapshot
2020-10-23	Roland Schulz	Fix warning with OneAPI compiler and AVX512	commit \| commitdiff \| tree \| snapshot
2020-10-23	M. Eric Irrgang	Update Docker image build scripts.	commit \| commitdiff \| tree \| snapshot
2020-10-22	Paul Bauer	Fix propagating flags for Intel + Windows	commit \| commitdiff \| tree \| snapshot
2020-10-22	M. Eric Irrgang	Use updated CI pipeline rules for Python package tests.	commit \| commitdiff \| tree \| snapshot
2020-10-22	Artem Zhmurov	Use and properly initialize PRNG when hardware random...	commit \| commitdiff \| tree \| snapshot
2020-10-22	Artem Zhmurov	Introduce intermediate variable so that compiler will...	commit \| commitdiff \| tree \| snapshot
2020-10-22	Paul Bauer	Fix static linking with MSVC	commit \| commitdiff \| tree \| snapshot
2020-10-22	Artem Zhmurov	Fix formatting of the authors list	commit \| commitdiff \| tree \| snapshot
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