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2020-05-12	Berk Hess	Refactor virtual site interface	commit \| commitdiff \| tree
2020-05-12	Paul Bauer	Fix archive build	commit \| commitdiff \| tree
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	commit \| commitdiff \| tree
2020-05-05	Paul Bauer	Fix copyright	commit \| commitdiff \| tree
2020-05-04	Paul Bauer	Use test conversion script from source	commit \| commitdiff \| tree
2020-05-04	Paul Bauer	Fix incorrect header and linter scripts	commit \| commitdiff \| tree
2020-05-04	Pascal Merz	Catch errors in v-rescale and Parrinello-Rahman checkpointing	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	Mark Abraham	Remove bundled FindCUDA.cmake	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	Mark Abraham	Update cmake version for docs container	commit \| commitdiff \| tree
2020-04-29	Paul Bauer	Print base commit for source linters	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
2020-04-25	M. Eric Irrgang	Note CUDA builds in job names.	commit \| commitdiff \| tree
2020-04-23	Paul Bauer	Make clang-tidy script more robust	commit \| commitdiff \| tree
2020-04-23	Paul Bauer	Fix parallel testing	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
2020-04-17	Christian Blau	proposed fix for redmine bug #3403	commit \| commitdiff \| tree
2020-04-17	Paul Bauer	Fix check source not parsing errors and warnings correctly	commit \| commitdiff \| tree
2020-04-16	Mark Abraham	Introduce GMX_USE_SIMD_KERNELS cmake option	commit \| commitdiff \| tree
2020-04-16	Paul Bauer	Use GPU resources for build types again	commit \| commitdiff \| tree
2020-04-15	M. Eric Irrgang	Change default CMake version to 3.13.0 for CI images.	commit \| commitdiff \| tree
2020-04-14	Mark Abraham	Fix more clang warnings	commit \| commitdiff \| tree
2020-04-14	M. Eric Irrgang	Fix invalid gitlab-ci.yml	commit \| commitdiff \| tree
2020-04-13	Paul Bauer	Fix clang-tidy script and code issue	commit \| commitdiff \| tree
2020-04-12	Szilárd Páll	Fix clang 10 -Wimplicit-int-float-conversion warnings	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Finish removing ENCAD shifts and table generation	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Update to clang-tidy-9	commit \| commitdiff \| tree
2020-04-10	Christoph Junghans	cmake: fix exported target	commit \| commitdiff \| tree
2020-04-06	Paul Bauer	Add AMD image build, v2	commit \| commitdiff \| tree
2020-04-02	M. Eric Irrgang	Modernize some Python subprocess calls.	commit \| commitdiff \| tree
2020-03-31	M. Eric Irrgang	Update scripts for all of the requested pre-commit...	commit \| commitdiff \| tree
2020-03-27	M. Eric Irrgang	Compartmentalize hpccm build stages.	commit \| commitdiff \| tree
2020-03-27	M. Eric Irrgang	Be friendlier w.r.t. linkchecker.	commit \| commitdiff \| tree
2020-03-23	Paul Bauer	Fix release builds on Gitlab with regressiontests	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Normalize some more job names.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Simplify archive.gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Remove redundant jobs.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Fix duplicate variables parameter.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Add required Infrastructure for Gitlab merges	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Normalize naming for gromacs build/testing jobs.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Remove some unnecessary indirection in job definitions.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Consolidate .use-clangX CI job mix-in.	commit \| commitdiff \| tree
2020-03-23	M. Eric Irrgang	Consolidate .use-gccX CI job mix-in.	commit \| commitdiff \| tree
2020-03-22	Paul Bauer	Fix release builds on Gitlab with regressiontests	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Adopt CI job naming guidelines.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Normalize GitLab-CI cache parameter.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge environment support into global.gitlab-ci.yml	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Move .build-template.yml definitions closer to point...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge *-test-template.yml into testing-matrix.gitlab...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge .test-runner-template.yml into testing-matrix...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge .test-script-template.yml into testing-matrix...	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Merge .regressiontest-template.yml into archive config.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Consolidate documentation templates.	commit \| commitdiff \| tree
2020-03-22	M. Eric Irrgang	Reorganize release templates.	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
2020-03-16	M. Eric Irrgang	Add document for containerization infrastructure.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Alphabetize list for readability.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Reformat arguments for readability.	commit \| commitdiff \| tree
2020-03-16	M. Eric Irrgang	Build MPI in Dockerfile.	commit \| commitdiff \| tree
2020-03-13	Artem Zhmurov	Use DeviceStream init(...) function to create streams	commit \| commitdiff \| tree
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
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