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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
2019-12-13	Paul Bauer	Check for using correct hwloc headers and runtime	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Clarify what setting zero to some output mdp options...	commit \| commitdiff \| tree
2019-12-11	M. Eric Irrgang	gmxapi landing page update.	commit \| commitdiff \| tree
2019-12-07	M. Eric Irrgang	Finalize gmxapi 0.1	commit \| commitdiff \| tree
2019-12-06	Mark Abraham	Avoid 386 O3 codegen bug	commit \| commitdiff \| tree
2019-12-06	M. Eric Irrgang	Add notes on MPI with gmxapi Python package.	commit \| commitdiff \| tree
2019-12-06	Artem Zhmurov	Pass array ref instead of casting to basic array in...	commit \| commitdiff \| tree
2019-12-06	Christian Blau	Change arbitrary units to counts in RMSD distance distributi...	commit \| commitdiff \| tree
2019-12-06	Mark Abraham	Provide more feedback when listed forces tests fail	commit \| commitdiff \| tree
2019-12-06	M. Eric Irrgang	gmxapi Python package usage prose.	commit \| commitdiff \| tree
2019-12-06	M. Eric Irrgang	Improve pytest fixtures for directory management.	commit \| commitdiff \| tree
2019-12-05	Christian Blau	Relax cross-correlation test precision	commit \| commitdiff \| tree
2019-12-03	Paul Bauer	Third beta release of GROMACS 2020	commit \| commitdiff \| tree
2019-12-03	Paul Bauer	Revert "Enable GPU update with DD when GPU comm features...	commit \| commitdiff \| tree
2019-12-03	Paul Bauer	Fix nightly build by correctly defining several	commit \| commitdiff \| tree
2019-12-03	Alan Gray	Enable GPU update with DD when GPU comm features are...	commit \| commitdiff \| tree
2019-12-02	Berk Hess	Add check for coupled constraints for CUDA update	commit \| commitdiff \| tree
2019-12-02	Berk Hess	Extract LINCS CUDA helper functions	commit \| commitdiff \| tree
2019-12-01	Paul Bauer	Use DOI for citing in reference manual section	commit \| commitdiff \| tree
2019-12-01	Mark Abraham	Further improve taskassignment exception handling	commit \| commitdiff \| tree
2019-11-29	Paul Bauer	Fix unaligned access with AVX512	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Print OpenCL error info in case of failed assertion...	commit \| commitdiff \| tree
2019-11-28	Paul Bauer	Fix postsubmit	commit \| commitdiff \| tree
2019-11-28	Christian Blau	Fix check-pointing for density guided simulations	commit \| commitdiff \| tree
2019-11-26	Mark Abraham	Relax tolerance for bd tests	commit \| commitdiff \| tree
2019-11-26	Paul Bauer	Fix unused variable warning in ewald code	commit \| commitdiff \| tree
2019-11-26	Berk Hess	Fix issues with AWH with periodic pulling	commit \| commitdiff \| tree
2019-11-25	Christian Blau	Fix duplicate CONNECT records in pdb files	commit \| commitdiff \| tree
2019-11-25	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	commit \| commitdiff \| tree
2019-11-25	Christian Blau	Read mrc density map format with all endianesses.	commit \| commitdiff \| tree
2019-11-25	Christian Blau	Check mrc header for sanity	commit \| commitdiff \| tree
2019-11-25	Artem Zhmurov	Fix index mapping issue with LINCS on GPU	commit \| commitdiff \| tree
2019-11-20	Paul Bauer	Merge 'origin/release-2019' into release-2020	commit \| commitdiff \| tree
2019-11-20	Mark Abraham	Quiet uninitialized variable warning with clang 9	commit \| commitdiff \| tree
2019-11-17	Szilárd Páll	Trigger ocl_nbnxm_kernels target with clang-tidy	commit \| commitdiff \| tree
2019-11-17	M. Eric Irrgang	Remove extraneous file.	commit \| commitdiff \| tree
2019-11-17	M. Eric Irrgang	Add transitional links for online gmxapi Python package...	commit \| commitdiff \| tree
2019-11-17	M. Eric Irrgang	Improve gmxapi Dockerfiles.	commit \| commitdiff \| tree
2019-11-17	Szilárd Páll	Fix clang-tidy 8 warnings in OpenCL nbnxm kernels	commit \| commitdiff \| tree
2019-11-16	Mark Abraham	Stop testing that hwloc cache-size detection works...	commit \| commitdiff \| tree
2019-11-14	Paul Bauer	Fix formatting error	commit \| commitdiff \| tree
2019-11-13	Erik Lindahl	Updated physical constants to CODATA 2018	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Achieve gmxapi fr15.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Updates to gmxapi FR15 acceptance test.	commit \| commitdiff \| tree
2019-11-11	M. Eric Irrgang	Update notes and tests regarding gmxapi acceptance...	commit \| commitdiff \| tree
2019-11-09	Alan Gray	Modernize naming in GPU buffer ops kernels	commit \| commitdiff \| tree
2019-11-09	ejjordan	Fix mdp parameter handling in mdrun tests	commit \| commitdiff \| tree
2019-11-08	M. Eric Irrgang	Fix bug introduced by clang-format reformat.	commit \| commitdiff \| tree
2019-11-07	Paul Bauer	Apply clang-format to source tree	commit \| commitdiff \| tree
2019-11-06	Erik Lindahl	Work around broken Apple compilers in Mac OS 10.15	commit \| commitdiff \| tree
2019-11-04	M. Eric Irrgang	Update gmxapi Python documentation instructions.	commit \| commitdiff \| tree
2019-11-03	M. Eric Irrgang	Update Sphinx link.	commit \| commitdiff \| tree
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