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2020-09-08	Paul Bauer	Move densityfitting to its own directory	commit \| commitdiff \| tree
2020-09-07	Paul Bauer	Fix output string for GPU support	commit \| commitdiff \| tree
2020-08-31	Paul Bauer	Merge branch 'release-2020' into master	commit \| commitdiff \| tree
2020-08-17	Paul Bauer	Fix clang-format	commit \| commitdiff \| tree
2020-08-17	Paul Bauer	Reduce artifact size	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
2020-07-07	Paul Bauer	Move densityfitting to its own directory	commit \| commitdiff \| tree
2020-07-01	Paul Bauer	Revert "Make everything run on Gitlab infrastructure."	commit \| commitdiff \| tree
2020-07-01	Paul Bauer	Change builds that use failing docker containers	commit \| commitdiff \| tree
2020-07-01	Paul Bauer	Disable failing builds for master branch	commit \| commitdiff \| tree
2020-06-29	Paul Bauer	Make everything run on Gitlab infrastructure.	commit \| commitdiff \| tree
2020-06-26	Paul Bauer	Make DSSP default path configurable	commit \| commitdiff \| tree
2020-06-26	Paul Bauer	Minor cleanup in gmx bar	commit \| commitdiff \| tree
2020-06-24	Paul Bauer	Fix warning about needing config.h	commit \| commitdiff \| tree
2020-06-18	Paul Bauer	Fix missing #include <string>	commit \| commitdiff \| tree
2020-06-12	Paul Bauer	Fix false initialization values in gmx hbond	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
2020-06-09	Paul Bauer	Extract COM handling from trjconv	commit \| commitdiff \| tree
2020-06-05	Paul Bauer	Fix segmentation fault when reading energy terms	commit \| commitdiff \| tree
2020-06-05	Paul Bauer	Use moltype directly for obtaining residueAtomRanges	commit \| commitdiff \| tree
2020-06-05	Paul Bauer	Fix failing webpage build	commit \| commitdiff \| tree
2020-06-04	Paul Bauer	Add ability to chose regressiontest commit and branch	commit \| commitdiff \| tree
2020-06-02	Paul Bauer	Add function to get residue start and end	commit \| commitdiff \| tree
2020-05-29	Paul Bauer	Add test for InteractionList	commit \| commitdiff \| tree
2020-05-29	Paul Bauer	Correct regular expression for clang-tidy.sh	commit \| commitdiff \| tree
2020-05-25	Paul Bauer	Fix awk error in clang-tidy script	commit \| commitdiff \| tree
2020-05-25	Paul Bauer	Fix clang-tidy warnings	commit \| commitdiff \| tree
2020-05-24	Paul Bauer	Add conversion from new to legacy symtab	commit \| commitdiff \| tree
2020-05-24	Paul Bauer	Avoid parsing of fatalerror.cpp as lint failure	commit \| commitdiff \| tree
2020-05-23	Paul Bauer	Modernize convert-tpr	commit \| commitdiff \| tree
2020-05-23	Paul Bauer	Add tests for tool help output writing	commit \| commitdiff \| tree
2020-05-22	Paul Bauer	Avoid parsing of fatalerror.cpp as lint failure	commit \| commitdiff \| tree
2020-05-20	Paul Bauer	Fix compile errors	commit \| commitdiff \| tree
2020-05-19	Paul Bauer	Remove unnecessary includes of arrayref.h	commit \| commitdiff \| tree
2020-05-14	Paul Bauer	Avoid CI errors from overloading resources	commit \| commitdiff \| tree
2020-05-13	Paul Bauer	Fix check source error parsing	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	Fix cmake error: Mixed styles of target_link_libraries...	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
2020-05-01	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
2020-04-29	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
2020-04-27	Paul Bauer	Fix segmentation fault in do_dssp	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	Fix copyright header	commit \| commitdiff \| tree
2020-04-25	Paul Bauer	Use branch point also for format and copyright check	commit \| commitdiff \| tree
2020-04-24	Paul Bauer	Fix parallel testing	commit \| commitdiff \| tree
2020-04-23	Paul Bauer	Use branch point also for format and copyright check	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
2020-04-22	Paul Bauer	Copy of CI from master to 2020	commit \| commitdiff \| tree
2020-04-20	Paul Bauer	Make tests check code for warnings same as the main...	commit \| commitdiff \| tree
2020-04-17	Paul Bauer	Fix check source not parsing errors and warnings correctly	commit \| commitdiff \| tree
2020-04-16	Paul Bauer	Use GPU resources for build types again	commit \| commitdiff \| tree
2020-04-13	Paul Bauer	The ugliest hack to fix rebase issues ever	commit \| commitdiff \| tree
2020-04-13	Paul Bauer	Fix clang-tidy script and code issue	commit \| commitdiff \| tree
2020-04-11	Paul Bauer	Add Image for GCC 7 and AMD OpenCL	commit \| commitdiff \| tree
2020-04-09	Paul Bauer	Add clang-tidy script	commit \| commitdiff \| tree
2020-04-06	Paul Bauer	Add AMD image build, v2	commit \| commitdiff \| tree
2020-03-23	Paul Bauer	Fix release builds on Gitlab with regressiontests	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
2020-03-21	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
2020-03-19	Paul Bauer	Add script to generate CI Docker files	commit \| commitdiff \| tree
2020-03-18	Paul Bauer	Fix image mixup for GItlab doc builds	commit \| commitdiff \| tree
2020-03-09	Paul Bauer	Fix wrong Docker images in doc builds	commit \| commitdiff \| tree
2020-03-07	Paul Bauer	Add clang-tidy script	commit \| commitdiff \| tree
2020-03-06	Paul Bauer	Fix Gitlab build issues	commit \| commitdiff \| tree
2020-03-04	Paul Bauer	Merge "Merge branch release-2020 into master"	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	Paul Bauer	Always hash files when building from release tarball	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Add Cuda build to gitlab CI	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Revert "Remove frozen atoms from VCM groups"	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	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	Paul Bauer	Version 2019.6	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	Paul Bauer	Fix clang-6 image template	commit \| commitdiff \| tree
2020-02-21	Paul Bauer	Fix Gitlab doc build	commit \| commitdiff \| tree
2020-02-05	Paul Bauer	Use more MDLogger in preprocessing	commit \| commitdiff \| tree
2020-01-31	Paul Bauer	Use MDLogger in grompp	commit \| commitdiff \| tree
2020-01-31	Paul Bauer	Start using MDLogger in gmxpreprocess	commit \| commitdiff \| tree
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