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2021-01-07	Christian Blau	Prepare for GROMACS 2020.6	commit \| commitdiff \| tree
2021-01-06	Christian Blau	GROMACS version 2020.5	commit \| commitdiff \| tree
2020-12-09	Paul Bauer	Fix indexing bug in electric field module	commit \| commitdiff \| tree
2020-11-11	Paul Bauer	Fix gmx do_dssp CHARMM support	commit \| commitdiff \| tree
2020-11-11	Paul Bauer	Fix segmentation fault in gmx pairdist	commit \| commitdiff \| tree
2020-11-10	Berk Hess	Fix dHdl and foreign energy clearing at checkpointing	commit \| commitdiff \| tree
2020-10-21	Christian Blau	Ensure that gmx covar does not access indices out of...	commit \| commitdiff \| tree
2020-10-21	Christian Blau	Clarify that mdtutorials are not provided by the gromacs...	commit \| commitdiff \| tree
2020-10-13	Paul Bauer	Fix missing copyright and release notes	commit \| commitdiff \| tree
2020-10-06	Paul Bauer	Prepare for GROMACS 2020.5	commit \| commitdiff \| tree
2020-10-02	Paul Bauer	Work-around for RDRAND returning -1 on Ryzen	commit \| commitdiff \| tree
2020-10-01	Paul Bauer	Fix post merge acceptance pipeline for release-2020	commit \| commitdiff \| tree
2020-09-30	Pascal Merz	Fix bug resetting mdatoms masses to lambda=0 state	commit \| commitdiff \| tree
2020-09-29	Artem Zhmurov	Don't use fah_fsync	commit \| commitdiff \| tree
2020-09-28	Paul Bauer	Change download for regressiontest away from gerrit	commit \| commitdiff \| tree
2020-09-16	Paul Bauer	Break off some tests from mdrun tests	commit \| commitdiff \| tree
2020-09-15	Paul Bauer	Fix missing include for MSVC build	commit \| commitdiff \| tree
2020-08-26	Mark Abraham	Permit build with CUDA 11.0	commit \| commitdiff \| tree
2020-07-27	Paul Bauer	Revert "Change builds that use failing docker containers"	commit \| commitdiff \| tree
2020-07-09	Paul Bauer	Prepare for GROMACS 2020.4	commit \| commitdiff \| tree
2020-07-09	Paul Bauer	GROMACS version 2020.3	commit \| commitdiff \| tree
2020-06-26	Paul Bauer	Make DSSP default path configurable	commit \| commitdiff \| tree
2020-06-11	Paul Bauer	Fix false initialization values in gmx hbond	commit \| commitdiff \| tree
2020-06-10	Paul Bauer	Proper fix for gmx do_dssp	commit \| commitdiff \| tree
2020-06-05	Paul Bauer	Fix segmentation fault when reading energy terms	commit \| commitdiff \| tree
2020-06-05	Artem Zhmurov	Make a error message less confusing	commit \| commitdiff \| tree
2020-06-04	Terry Mahaffey	Remove the c++14 flag for CUDA builds on Windows. This...	commit \| commitdiff \| tree
2020-05-22	Paul Bauer	Avoid parsing of fatalerror.cpp as lint failure	commit \| commitdiff \| tree
2020-05-07	Berk Hess	Avoid warning during PME tuning	commit \| commitdiff \| tree
2020-05-05	Paul Bauer	Fix copyright	commit \| commitdiff \| tree
2020-05-01	Paul Bauer	Prepare for 2020.3	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	GROMACS version 2020.2	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	Print base commit for source linters	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	Fix incorrect header and linter scripts	commit \| commitdiff \| tree
2020-04-30	Paul Bauer	Disallow combination of gcc > 9 and IBM_VSX	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Fix compiler flag reporting	commit \| commitdiff \| tree
2020-04-29	Paul Bauer	Use test conversion script from source	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Baseline commit	commit \| commitdiff \| tree
2020-04-27	Paul Bauer	Build python package for documentation builds	commit \| commitdiff \| tree
2020-04-27	Paul Bauer	Fix warning for return type	commit \| commitdiff \| tree
2020-04-27	Paul Bauer	Fix bug in source verification on Windows	commit \| commitdiff \| tree
2020-04-25	Paul Bauer	Use branch point also for format and copyright check	commit \| commitdiff \| tree
2020-04-23	Mark Abraham	Fix warnings for no-mpi build	commit \| commitdiff \| tree
2020-04-22	Paul Bauer	Copy of CI from master to 2020	commit \| commitdiff \| tree
2020-03-22	Paul Bauer	Fix release builds on Gitlab with regressiontests	commit \| commitdiff \| tree
2020-03-22	Paul Bauer	Add Documentation build to script	commit \| commitdiff \| tree
2020-03-20	Paul Bauer	Add script to generate CI Docker files	commit \| commitdiff \| tree
2020-03-19	Paul Bauer	Add required Infrastructure for Gitlab merges	commit \| commitdiff \| tree
2020-03-18	Paul Bauer	Fix image mixup for GItlab doc builds	commit \| commitdiff \| tree
2020-03-03	Paul Bauer	Prepare for 2020.2	commit \| commitdiff \| tree
2020-03-03	Paul Bauer	Version 2020.1	commit \| commitdiff \| tree
2020-03-03	Alan Gray	Allow PME coordinate send before H2D coordinate transfer	commit \| commitdiff \| tree
2020-03-02	Berk Hess	Fix grompp unbound atom check	commit \| commitdiff \| tree
2020-03-02	Berk Hess	Fix nrdf with partial COMM removal	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Revert "Remove frozen atoms from VCM groups"	commit \| commitdiff \| tree
2020-02-28	Paul Bauer	Merge branch release-2019 into release-2020	commit \| commitdiff \| tree
2020-02-28	Paul Bauer	Define all CPU NB kernels	commit \| commitdiff \| tree
2020-02-28	Jonathan Vincent	Moves call to choose best performaing kernels to pme_gpu_rei...	commit \| commitdiff \| tree
2020-02-28	Paul Bauer	Version 2019.6	commit \| commitdiff \| tree
2020-02-27	Pascal Merz	Use legacy code path for t_graph (modular simulator)	commit \| commitdiff \| tree
2020-02-25	Szilárd Páll	Improve GPU update tasks assignment consistency	commit \| commitdiff \| tree
2020-02-25	Paul Bauer	Avoid integer overflow in dispersion correction	commit \| commitdiff \| tree
2020-02-25	Paul Bauer	Revert "Expose vsite counting"	commit \| commitdiff \| tree
2020-02-21	M. Eric Irrgang	Simplify GitLab CI Dockerfiles.	commit \| commitdiff \| tree
2020-02-10	Szilárd Páll	Avoid dev flags in triggering gpuupdate nightly matrix	commit \| commitdiff \| tree
2020-02-10	Szilárd Páll	Avoid (re)initializing GPU update without DD	commit \| commitdiff \| tree
2020-02-05	Berk Hess	Actually fix PME forces with FE without perturbed q/LJ	commit \| commitdiff \| tree
2020-01-24	Paul Bauer	Use utf-8 for python file reading	commit \| commitdiff \| tree
2020-01-23	Berk Hess	Fix DD rank count prime check	commit \| commitdiff \| tree
2020-01-23	Artem Zhmurov	Fix a couple of commas in cool quotes	commit \| commitdiff \| tree
2020-01-23	Gaurav Garg	Fix PME checks in GPU update assignment decision	commit \| commitdiff \| tree
2020-01-21	Paul Bauer	Fix documentation error with doxygen >1.8.16	commit \| commitdiff \| tree
2020-01-17	Paul Bauer	Actually fix Gitlab doc build	commit \| commitdiff \| tree
2020-01-16	Szilárd Páll	Fix PME run mode without PME	commit \| commitdiff \| tree
2020-01-16	Paul Bauer	Fix nightly build failure on Gitlab	commit \| commitdiff \| tree
2020-01-08	Roland Schulz	Merge release-2019 into release-2020	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	Prepare for 2020.1	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	GROMACS 2020 release	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	Revert "GROMACS 2020 release"	commit \| commitdiff \| tree
2019-12-30	Paul Bauer	Fix build error with wrong name from cached cmake file	commit \| commitdiff \| tree
2019-12-29	Erik Lindahl	Write TPR body as opaque XDR data in big-endian format	commit \| commitdiff \| tree
2019-12-28	M. Eric Irrgang	Resolve CMake ambiguities for gmxapi Python package...	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Change releng to give information about Gitlab	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Extend information for GPU update	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Exclude build-system files from CPack	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Deprecate support for Armv7	commit \| commitdiff \| tree
2019-12-27	Artem Zhmurov	Add a note to the log file when -update gpu was set...	commit \| commitdiff \| tree
2019-12-27	Paul Bauer	Add copyright check and improve cache usage	commit \| commitdiff \| tree
2019-12-27	Paul Bauer	Merge origin/release-2019 into release-2020	commit \| commitdiff \| tree
2019-12-27	Artem Zhmurov	Clean bad auto-format in decidegpuusage doxygen comments	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	Add files for Gitlab CI	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	Prepare for GROMACS 2019.6	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	GROMACS version 2019.5	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	Revert "Fix that tests intended for multiple ranks...	commit \| commitdiff \| tree
2019-12-20	Paul Bauer	GROMACS 2020 release candidate	commit \| commitdiff \| tree
2019-12-19	Alan Gray	Fix PME tuning issue when PME-PP communications are...	commit \| commitdiff \| tree
2019-12-19	Szilárd Páll	PP-PME load balancing improvements	commit \| commitdiff \| tree
2019-12-18	Szilárd Páll	Allow x D2H to overlap with GPU force compute	commit \| commitdiff \| tree
2019-12-18	Berk Hess	Change grompp decoupling SD warning to note	commit \| commitdiff \| tree
2019-12-18	Paul Bauer	Add ability to set OMP and tMPI thread for ctest	commit \| commitdiff \| tree
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