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

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2019-08-01	Paul Bauer	Merge release-2019 into master	commit \| commitdiff \| tree
2019-07-30	Paul Bauer	Add wrapper for outputadapter methods	commit \| commitdiff \| tree
2019-07-24	Paul Bauer	Fix doxygen in coordianteio files	commit \| commitdiff \| tree
2019-07-24	Paul Bauer	Add outputadapters (3/3)	commit \| commitdiff \| tree
2019-07-18	Paul Bauer	Extend MDLogger levels	commit \| commitdiff \| tree
2019-07-17	Paul Bauer	Move methods out from trjconv	commit \| commitdiff \| tree
2019-07-09	Paul Bauer	Fix link to acpype repository	commit \| commitdiff \| tree
2019-07-09	Paul Bauer	Fix postsubmit	commit \| commitdiff \| tree
2019-07-08	Paul Bauer	Fix issues found by clang-tidy 7	commit \| commitdiff \| tree
2019-07-02	Paul Bauer	Fix bug in gmx xpm2ps	commit \| commitdiff \| tree
2019-06-20	Paul Bauer	Use ISerializer for TPR file IO	commit \| commitdiff \| tree
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
2019-06-14	Paul Bauer	Prepare for 2019.4	commit \| commitdiff \| tree
2019-06-14	Paul Bauer	Version 2019.3	commit \| commitdiff \| tree
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2019-06-12	Paul Bauer	Fix qsort not being defined on Apple Clang	commit \| commitdiff \| tree
2019-06-11	Paul Bauer	Fix residue and molecule indexing in selections	commit \| commitdiff \| tree
2019-06-11	Paul Bauer	Extend information for gmxcpp syntax error.	commit \| commitdiff \| tree
2019-06-11	Paul Bauer	Add check for too many grid points in hbond	commit \| commitdiff \| tree
2019-05-29	Paul Bauer	Version 2018.7	commit \| commitdiff \| tree
2019-05-27	Paul Bauer	Add more info for wrong line endings	commit \| commitdiff \| tree
2019-05-24	Paul Bauer	Fix PQR formatting	commit \| commitdiff \| tree
2019-05-24	Paul Bauer	Fix membrane embedding	commit \| commitdiff \| tree
2019-05-23	Paul Bauer	Add check for allocating too many interactions	commit \| commitdiff \| tree
2019-05-13	Paul Bauer	Prepare for 2018.7	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
2019-05-02	Paul Bauer	Fix FPE in do_steep	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
2019-04-16	Paul Bauer	Prepare for version 2019.3	commit \| commitdiff \| tree
2019-04-16	Paul Bauer	Version 2019.2	commit \| commitdiff \| tree
2019-04-16	Paul Bauer	Fix off-by-one error in gmx cluster	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
2019-04-04	Paul Bauer	Fix segmentation fault with simulated annealing	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
2019-03-12	Paul Bauer	Fix formatting error in user guide reference	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
2019-03-06	Paul Bauer	Add error when manual cannot be built	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	Version 2018.6	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
2019-02-19	Paul Bauer	Change icc-18 to no-hwloc	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
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