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2019-03-08	Paul Bauer	Refactor preprocessing atom types.	commit \| commitdiff \| tree
2019-03-08	Paul Bauer	Minor refactoring in vsite_parm	commit \| commitdiff \| tree
2019-03-04	Paul Bauer	Merge "Merge branch release-2019"	commit \| commitdiff \| tree
2019-02-27	Paul Bauer	Refactor t_params to InteractionTypeParameters	commit \| commitdiff \| tree
2019-02-25	Paul Bauer	Refactor ExclusionBlocks	commit \| commitdiff \| tree
2019-02-22	Paul Bauer	Add tests for ExclusionBlocks	commit \| commitdiff \| tree
2019-02-21	Paul Bauer	Reorganize release notes	commit \| commitdiff \| tree
2019-02-21	Paul Bauer	Refactor t_molinfo to MoleculeInformation class	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Merge "Merge branch 'release-2019' into master"	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Fix release notes formatting	commit \| commitdiff \| tree
2019-02-19	Paul Bauer	Prepare for 2019.2	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Fix memory leaks in editconf	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Fix memory issues in preprocess	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Refactor vsite topology	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Version 2019.1	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Fix tune_pme	commit \| commitdiff \| tree
2019-02-13	Paul Bauer	Refactor rtp renaming	commit \| commitdiff \| tree
2019-02-13	Paul Bauer	Move simulated tempering default setting	commit \| commitdiff \| tree
2019-02-12	Paul Bauer	Refactor special bonds	commit \| commitdiff \| tree
2019-02-12	Paul Bauer	Refactor t_rbonded and t_rbondeds	commit \| commitdiff \| tree
2019-02-12	Paul Bauer	Refactor t_restp	commit \| commitdiff \| tree
2019-02-11	Paul Bauer	Refactor t_hack to MoleculePatches	commit \| commitdiff \| tree
2019-02-11	Paul Bauer	Fix bug in residue type reading	commit \| commitdiff \| tree
2019-02-09	Paul Bauer	Change nightly matrix label to not use hwloc	commit \| commitdiff \| tree
2019-02-06	Paul Bauer	Refactor t_hackblock	commit \| commitdiff \| tree
2019-02-04	Paul Bauer	Fix segmentation fault in minimize	commit \| commitdiff \| tree
2019-01-24	Paul Bauer	Change gcov to run on bs-mic	commit \| commitdiff \| tree
2019-01-24	Paul Bauer	Change gcov to run on bs-mic	commit \| commitdiff \| tree
2019-01-23	Paul Bauer	Fix bug introduced in 9c2eb03b	commit \| commitdiff \| tree
2019-01-23	Paul Bauer	Change gcov to run on bs-mic	commit \| commitdiff \| tree
2019-01-23	Paul Bauer	Introduce string comparison function	commit \| commitdiff \| tree
2019-01-23	Paul Bauer	Move QMMM charge setting to grompp	commit \| commitdiff \| tree
2019-01-22	Paul Bauer	Prepare for 2018.6	commit \| commitdiff \| tree
2019-01-22	Paul Bauer	Version 2018.5	commit \| commitdiff \| tree
2019-01-21	Paul Bauer	Refactor ResidueTypes	commit \| commitdiff \| tree
2019-01-18	Paul Bauer	Change one gmx_mtop_t atom loop to C++	commit \| commitdiff \| tree
2019-01-17	Paul Bauer	Change ResidueTypes to class	commit \| commitdiff \| tree
2019-01-16	Paul Bauer	Fix memory leak in solvate	commit \| commitdiff \| tree
2019-01-15	Paul Bauer	Remove raw pointers in index handling	commit \| commitdiff \| tree
2019-01-14	Paul Bauer	Refactor AtomProperties into C++	commit \| commitdiff \| tree
2019-01-11	Paul Bauer	Make AtomProperties class with Impl	commit \| commitdiff \| tree
2019-01-10	Paul Bauer	Fix string handling in vmdio	commit \| commitdiff \| tree
2019-01-10	Paul Bauer	Add mtop comparison function	commit \| commitdiff \| tree
2019-01-09	Paul Bauer	Fix uncrustify complaining about files	commit \| commitdiff \| tree
2019-01-07	Paul Bauer	Reuse Sphinx environment again	commit \| commitdiff \| tree
2019-01-07	Paul Bauer	Remove DOI entries when not on release patch	commit \| commitdiff \| tree
2019-01-04	Paul Bauer	Change gmx_localtop_t to C++	commit \| commitdiff \| tree
2018-12-31	Paul Bauer	Prepare for 2019.1	commit \| commitdiff \| tree
2018-12-31	Paul Bauer	GROMACS 2019 release	commit \| commitdiff \| tree
2018-12-31	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-12-27	Paul Bauer	Document OpenCL timer issue.	commit \| commitdiff \| tree
2018-12-22	Paul Bauer	Fix mdrun -nb GPU on non-gpu builds	commit \| commitdiff \| tree
2018-12-19	Paul Bauer	Merge "Merge release-2019 branch into master"	commit \| commitdiff \| tree
2018-12-17	Paul Bauer	Add matrix entry to test external FFTW build	commit \| commitdiff \| tree
2018-12-17	Paul Bauer	Fix FFTW build	commit \| commitdiff \| tree
2018-12-17	Paul Bauer	Copy parallelisation info from old webpage	commit \| commitdiff \| tree
2018-12-17	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-12-14	Paul Bauer	GROMACS 2019 Release candidate	commit \| commitdiff \| tree
2018-12-11	Paul Bauer	Properly check for MSVC in build script	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Use more const references in topology code	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Disable gmxapi by default	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Make release notes html only	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Change toctree depth in PDF manual	commit \| commitdiff \| tree
2018-12-03	Paul Bauer	Fix energy history reading	commit \| commitdiff \| tree
2018-11-30	Paul Bauer	Recreate flowchart figure	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	More fixes for ImageMagick test script	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Fix energy history reading	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Make Imagemagick availability more visible	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Fix reference manual image sizes	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Fix reference manual doc build	commit \| commitdiff \| tree
2018-11-28	Paul Bauer	Fix gcc-8 warnings	commit \| commitdiff \| tree
2018-11-26	Paul Bauer	Fix newline printing in -v output	commit \| commitdiff \| tree
2018-11-22	Paul Bauer	Prepare for 2019 release candidate	commit \| commitdiff \| tree
2018-11-22	Paul Bauer	GROMACS 2019 third beta release	commit \| commitdiff \| tree
2018-11-21	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-11-15	Paul Bauer	Refine FindSphinx	commit \| commitdiff \| tree
2018-11-15	Paul Bauer	Rework GMXAPI tests	commit \| commitdiff \| tree
2018-11-13	Paul Bauer	Add cool quote	commit \| commitdiff \| tree
2018-11-12	Paul Bauer	Update to prepare for 2018.5 point release	commit \| commitdiff \| tree
2018-11-12	Paul Bauer	Version 2018.4	commit \| commitdiff \| tree
2018-11-08	Paul Bauer	Give error when rerun with identical file names	commit \| commitdiff \| tree
2018-11-08	Paul Bauer	Issue fatal error if checkpoint does not suit the .tpr	commit \| commitdiff \| tree
2018-11-08	Paul Bauer	Actually fix gmx helix segmentation fault	commit \| commitdiff \| tree
2018-11-07	Paul Bauer	Mark new cmake variables advanced	commit \| commitdiff \| tree
2018-11-07	Paul Bauer	Add global directory for simulation test inputs	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	Fix wrong branch for regressiontests	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	Prepare for beta3	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	GROMACS 2019 second beta release	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Fix non ascii characters in manual references	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Make QM/MM code always compile	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Give more info when trying to build manual	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Fix formatting issue	commit \| commitdiff \| tree
2018-11-01	Paul Bauer	Properly define Bromine in amber forcefields	commit \| commitdiff \| tree
2018-10-31	Paul Bauer	Add equation numbers in reference manual	commit \| commitdiff \| tree
2018-10-30	Paul Bauer	Change Table of contents depth	commit \| commitdiff \| tree
2018-10-26	Paul Bauer	Fix link formatting in developer manual	commit \| commitdiff \| tree
2018-10-26	Paul Bauer	Update user documentation overview	commit \| commitdiff \| tree
2018-10-25	Paul Bauer	Change doc build without image conversion	commit \| commitdiff \| tree
2018-10-24	Paul Bauer	Update QM gaussian interface	commit \| commitdiff \| tree
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