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2020-03-13	Artem Zhmurov	Make DeviceStream into a class	commit \| commitdiff \| tree
2020-03-13	Berk Hess	Add tests for Ewald surface terms	commit \| commitdiff \| tree
2020-03-09	M. Eric Irrgang	Free up Docker image tag namespace.	commit \| commitdiff \| tree
2020-03-06	Mark Abraham	Simplify compiling GPU code for tests	commit \| commitdiff \| tree
2020-03-04	Paul Bauer	Merge "Merge branch release-2020 into master"	commit \| commitdiff \| tree
2020-03-04	Christian Blau	Save excluded non-bonded interactions in .tpr file	commit \| commitdiff \| tree
2020-03-04	Christian Blau	Add classhelper macro to forbid copy, move and any...	commit \| commitdiff \| tree
2020-03-04	Paul Bauer	Merge branch release-2020 into master	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
2020-03-03	Magnus Lundborg	Store dHdL for all neighbor lambdas	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
2020-02-24	M. Eric Irrgang	Make gmxapi.version.has_feature warning more useful.	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Use subprocess.run instead of subprocess.check	commit \| commitdiff \| tree
2020-02-24	M. Eric Irrgang	Improve gmxapi.operation error handling.	commit \| commitdiff \| tree
2020-02-24	Pascal Merz	Use ArrayRef in compute_globals	commit \| commitdiff \| tree
2020-02-21	M. Eric Irrgang	Simplify GitLab CI Dockerfiles.	commit \| commitdiff \| tree
2020-02-21	Artem Zhmurov	Refactor and enable RVec to float conversion test	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
2020-02-06	Artem Zhmurov	Use RVec instead of float for x, v and f device buffers	commit \| commitdiff \| tree
2020-02-06	Szilárd Páll	Remove mu_tot from compute_globals()	commit \| commitdiff \| tree
2020-02-05	Paul Bauer	Use more MDLogger in preprocessing	commit \| commitdiff \| tree
2020-02-05	Berk Hess	Actually fix PME forces with FE without perturbed q/LJ	commit \| commitdiff \| tree
2020-02-05	Pascal Merz	Minor improvements to vcm.cpp	commit \| commitdiff \| tree
2020-02-05	Pascal Merz	Merge VV implementations of ComputeGlobalsElement	commit \| commitdiff \| tree
2020-02-03	Artem Zhmurov	Enable GPU update for supported cases of FEP	commit \| commitdiff \| tree
2020-01-31	Paul Bauer	Use MDLogger in grompp	commit \| commitdiff \| tree
2020-01-31	Szilárd Páll	Eliminate the legacyFlags manipulation in do_force()	commit \| commitdiff \| tree
2020-01-31	Christian Blau	Documentation fix for local atom set data	commit \| commitdiff \| tree
2020-01-31	Pascal Merz	StatePropagatorData: Make const box getters const functions	commit \| commitdiff \| tree
2020-01-30	Artem Zhmurov	Cleaning booleans in NBNXM in OpenCL build	commit \| commitdiff \| tree
2020-01-29	Szilárd Páll	Small improvement in OpenCL error handling	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Split and move the checkDeviceBuffer(...) function...	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Remove the rest of the device coordinates management...	commit \| commitdiff \| tree
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	commit \| commitdiff \| tree
2020-01-27	Mark Abraham	Update some nbnxm kernel constants to constexpr	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
2020-01-20	Berk Hess	Use ArrayRef(WithPadding) in constraint code	commit \| commitdiff \| tree
2020-01-17	Paul Bauer	Actually fix Gitlab doc build	commit \| commitdiff \| tree
2020-01-16	Mark Abraham	Make nbnxm headers more self-contained	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
2020-01-15	Christoph Junghans	cmake: install pbc.h for GMX_INSTALL_LEGACY_API	commit \| commitdiff \| tree
2020-01-14	Paul Bauer	Use utf-8 for python file reading	commit \| commitdiff \| tree
2020-01-08	Roland Schulz	Merge release-2019 into release-2020	commit \| commitdiff \| tree
2020-01-07	Paul Bauer	Merge branch origin/release-2020 into master	commit \| commitdiff \| tree
2020-01-07	Erik Lindahl	Write TPR body as opaque XDR data in big-endian format	commit \| commitdiff \| tree
2020-01-07	Paul Bauer	Merge commit d30f2cb6 from release-2020 into master	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	Mark Abraham	Remove GMX_CYCLECOUNTERS	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	Further updates to Gitlab CI	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
2019-12-18	Paul Bauer	Add ability to set OMP and tMPI thread for ctest	commit \| commitdiff \| tree
2019-12-16	Berk Hess	Fix issues in ListOfLists	commit \| commitdiff \| tree
2019-12-15	Paul Bauer	Ignore build host for CI builds	commit \| commitdiff \| tree
2019-12-13	Paul Bauer	Set correct dependency for doc build on gmxapi	commit \| commitdiff \| tree
2019-12-13	Paul Bauer	Fix compiler warning about extra ;	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
2019-12-11	Paul Bauer	Update Gitlab CI to latest fixes	commit \| commitdiff \| tree
2019-12-09	Paul Bauer	Hopefully final gitlab CI fix	commit \| commitdiff \| tree
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