BioD PNPI Git Repos - alexxy/gromacs.git/search

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2019-06-19	Paul Bauer	Split tpr header reading reading from tpr body	commit \| commitdiff \| tree
2019-06-18	Paul Bauer	Fix gmx dump	commit \| commitdiff \| tree
2019-06-18	Paul Bauer	Extend ISerializer functionality	commit \| commitdiff \| tree
2019-05-13	Paul Bauer	Fix math formatting in reference manual	commit \| commitdiff \| tree
2019-05-10	Paul Bauer	Remove more manual memory management	commit \| commitdiff \| tree
2019-05-03	Paul Bauer	Add outputadapters (2/3)	commit \| commitdiff \| tree
2019-05-03	Paul Bauer	Replace t_grps with std::vector	commit \| commitdiff \| tree
2019-05-02	Paul Bauer	Add outputadapters (1/3)	commit \| commitdiff \| tree
2019-05-02	Paul Bauer	Add builder for TrajectoryFileWriter	commit \| commitdiff \| tree
2019-04-26	Paul Bauer	Add C++ coordinate file writing method.	commit \| commitdiff \| tree
2019-04-25	Paul Bauer	Add Interface to change coordinate file info	commit \| commitdiff \| tree
2019-04-18	Paul Bauer	Update clang-tidy to check for dangling references	commit \| commitdiff \| tree
2019-04-17	Paul Bauer	Enable printing of known issues in commandline	commit \| commitdiff \| tree
2019-04-17	Paul Bauer	Create gmx::compat::string_view	commit \| commitdiff \| tree
2019-04-16	Paul Bauer	Refactor t_pindex	commit \| commitdiff \| tree
2019-04-07	Paul Bauer	Remove t_topology from two preprocess tools	commit \| commitdiff \| tree
2019-04-04	Paul Bauer	Update developer guide for changes to Gerrit	commit \| commitdiff \| tree
2019-04-03	Paul Bauer	Fix post submit	commit \| commitdiff \| tree
2019-04-02	Paul Bauer	Refactor gpp_bond_atomtype	commit \| commitdiff \| tree
2019-04-02	Paul Bauer	Add std::string case insensitive compare	commit \| commitdiff \| tree
2019-04-02	Paul Bauer	Refactor gmx_group_t to SimulationAtomGroups	commit \| commitdiff \| tree
2019-04-02	Paul Bauer	Fix simulated annealing and add test	commit \| commitdiff \| tree
2019-03-22	Paul Bauer	Add simple tests for symbol table	commit \| commitdiff \| tree
2019-03-20	Paul Bauer	Add simple test to preprocess bond atom type	commit \| commitdiff \| tree
2019-03-20	Paul Bauer	Add test for string comparison	commit \| commitdiff \| tree
2019-03-19	Paul Bauer	Fix case insensitive string comparison	commit \| commitdiff \| tree
2019-03-18	Paul Bauer	Simple tests for C-style string comparison	commit \| commitdiff \| tree
2019-03-13	Paul Bauer	Add tests for preprocess atom types	commit \| commitdiff \| tree
2019-03-13	Paul Bauer	Remove custom datastructure in vsite preprocessing	commit \| commitdiff \| tree
2019-03-13	Paul Bauer	Fix errors caused by automatic rebase	commit \| commitdiff \| tree
2019-03-13	Paul Bauer	Refactor t_param to InteractionType	commit \| commitdiff \| tree
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
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