BioD PNPI Git Repos - alexxy/gromacs.git/history - src/gromacs/gmxpreprocess/pdb2gmx.cpp

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / pdb2gmx.cpp

2021-10-18	Andrey Alekseenko	Merge release-2021 into master	blob \| commitdiff \| raw
2021-09-14	Andrey Alekseenko	Merge remote-tracking branch 'origin/release-2021'...	blob \| commitdiff \| raw
2021-09-07	Mark Abraham	Replace ResidueTypeMap with std::unordered_map	blob \| commitdiff \| raw
2021-09-01	Mark Abraham	Use better data structure to implement ResidueType	blob \| commitdiff \| raw \| diff to current
2021-08-19	Andrey Alekseenko	Merge remote-tracking branch 'origin/release-2021'...	blob \| commitdiff \| raw \| diff to current
2021-06-29	Paul Bauer	Merge branch release-2021 into master	blob \| commitdiff \| raw \| diff to current
2021-05-07	Paul Bauer	Merge branch release-2021 into merge-2021-into-master	blob \| commitdiff \| raw \| diff to current
2021-04-26	Paul Bauer	Fix incorrect handling of single residue chains	blob \| commitdiff \| raw \| diff to current
2021-04-21	Joe Jordan	clang-tidy-11 fixes for gmxpreprocess	blob \| commitdiff \| raw \| diff to current
2021-04-19	Artem Zhmurov	Make .rtp/.tdb bond types into enum class	blob \| commitdiff \| raw \| diff to current
2021-03-05	Paul Bauer	Merge branch release-2020 into merge-2020-into-2021	blob \| commitdiff \| raw \| diff to current
2021-02-12	Mark Abraham	Merge branch release-2021 into master	blob \| commitdiff \| raw \| diff to current
2021-01-29	Mark Abraham	Merge branch release-2021	blob \| commitdiff \| raw \| diff to current
2021-01-21	Mark Abraham	Ensure residue name used by pdb2gmx matches rtp name	blob \| commitdiff \| raw \| diff to current
2021-01-07	Paul Bauer	Merge branch release-2020 into merge-2020-into-2021	blob \| commitdiff \| raw \| diff to current
2020-12-18	Mark Abraham	Merge branch release-2021	blob \| commitdiff \| raw \| diff to current
2020-12-16	M. Eric Irrgang	Apply re-formatting to C++ in src/ tree.	blob \| commitdiff \| raw \| diff to current
2020-11-24	Paul Bauer	Merge branch 'origin/release-2021' into merge-2021...	blob \| commitdiff \| raw \| diff to current
2020-11-24	Paul Bauer	Merge branch 'origin/release-2020' into merge-2020...	blob \| commitdiff \| raw \| diff to current
2020-11-05	Paul Bauer	Allow pdb2gmx to handle cyclic molecules	blob \| commitdiff \| raw \| diff to current
2020-10-20	Paul Bauer	Merge branch 'origin/release-2020' into merge-release...	blob \| commitdiff \| raw \| diff to current
2020-10-07	Paul Bauer	Merge branch 'origin/release-2020' into merge-release...	blob \| commitdiff \| raw \| diff to current
2020-09-15	Artem Zhmurov	Fix VSite out of range error message	blob \| commitdiff \| raw \| diff to current
2020-08-31	Paul Bauer	Merge branch 'release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-07-29	Kevin Boyd	Fix undefined behavior flagged by UBSAN	blob \| commitdiff \| raw \| diff to current
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-04-30	M. Eric Irrgang	Require C++17 standard and STL features.	blob \| commitdiff \| raw \| diff to current
2020-04-07	Mark Abraham	Replace EnumOption with EnumerationArrayOption	blob \| commitdiff \| raw \| diff to current
2020-03-04	Paul Bauer	Merge branch release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-02-28	Paul Bauer	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2020-02-01	Artem Zhmurov	Merge "Merge branch origin/release-2020 into master"	blob \| commitdiff \| raw \| diff to current
2020-01-31	Paul Bauer	Start using MDLogger in gmxpreprocess	blob \| commitdiff \| raw \| diff to current
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-09	Artem Zhmurov	Make PBC type enumeration into PbcType enum class	blob \| commitdiff \| raw \| diff to current
2020-01-09	Mark Abraham	Split lines with many copyright years	blob \| commitdiff \| raw \| diff to current
2020-01-08	Roland Schulz	Merge release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-12-27	Paul Bauer	Merge origin/release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-29	Mark Abraham	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-20	Paul Bauer	Merge 'origin/release-2019' into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-07	Paul Bauer	Apply clang-format to source tree	blob \| commitdiff \| raw \| diff to current
2019-10-29	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-09-25	Szilárd Páll	Merge remote-tracking branch 'origin/release-2019'	blob \| commitdiff \| raw \| diff to current
2019-09-24	Paul Bauer	Merge branch release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-08-23	Mark Abraham	Update clang-tidy to clang version 8	blob \| commitdiff \| raw \| diff to current
2019-08-22	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-08-20	Mark Abraham	Fix issues for clang-analyzer-8	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-04-18	Mark Abraham	Create gmx::compat::optional	blob \| commitdiff \| raw \| diff to current
2019-03-08	Paul Bauer	Refactor preprocessing atom types.	blob \| commitdiff \| raw \| diff to current
2019-03-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-02-15	Paul Bauer	Fix memory issues in preprocess	blob \| commitdiff \| raw \| diff to current
2019-02-13	Paul Bauer	Refactor rtp renaming	blob \| commitdiff \| raw \| diff to current
2019-02-12	Paul Bauer	Refactor special bonds	blob \| commitdiff \| raw \| diff to current
2019-02-12	Paul Bauer	Refactor t_restp	blob \| commitdiff \| raw \| diff to current
2019-02-11	Paul Bauer	Refactor t_hack to MoleculePatches	blob \| commitdiff \| raw \| diff to current
2019-02-06	Paul Bauer	Refactor t_hackblock	blob \| commitdiff \| raw \| diff to current
2019-02-04	Roland Schulz	Rename all source files from - to _ for consistency.	blob \| commitdiff \| raw \| diff to current
2019-02-04	Roland Schulz	Replace compat::make_unique with std::make_unique	blob \| commitdiff \| raw \| diff to current
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-01-23	Paul Bauer	Fix bug introduced in 9c2eb03b	blob \| commitdiff \| raw \| diff to current
2019-01-23	Roland Schulz	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-01-23	Roland Schulz	Merge release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-01-23	Paul Bauer	Introduce string comparison function	blob \| commitdiff \| raw \| diff to current
2019-01-21	Paul Bauer	Refactor ResidueTypes	blob \| commitdiff \| raw \| diff to current
2019-01-17	Paul Bauer	Change ResidueTypes to class	blob \| commitdiff \| raw \| diff to current
2019-01-15	Paul Bauer	Remove raw pointers in index handling	blob \| commitdiff \| raw \| diff to current
2019-01-13	Mark Abraham	Improve use of gmxpreprocess headers	blob \| commitdiff \| raw \| diff to current
2019-01-11	Paul Bauer	Make AtomProperties class with Impl	blob \| commitdiff \| raw \| diff to current
2018-12-31	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-17	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-11-21	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-10-13	Mark Abraham	Deprecate various functionality in GROMACS 2019	blob \| commitdiff \| raw \| diff to current
2018-09-17	Joe Jordan	Refactor pdb2gmx in c++ framework	blob \| commitdiff \| raw \| diff to current
2018-09-16	Joe Jordan	Move variables around in pdb2gmx	blob \| commitdiff \| raw \| diff to current
2018-09-12	Roland Schulz	Warn for type mismatch for gmx printf like functions 2/3	blob \| commitdiff \| raw \| diff to current
2018-08-29	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-24	Berk Hess	Merge "Merge branch release-2018"	blob \| commitdiff \| raw \| diff to current
2018-08-24	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-24	Joe Jordan	change some char to string in gmxpreprocess	blob \| commitdiff \| raw \| diff to current
2018-08-22	Joe Jordan	Fix pdb2gmx -chainsep	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	clang-tidy modernize	blob \| commitdiff \| raw \| diff to current
2018-08-14	Joe Jordan	Add chainsep and merge tests for pdb2gmx	blob \| commitdiff \| raw \| diff to current
2018-08-12	Roland Schulz	3/3 of old-style casting	blob \| commitdiff \| raw \| diff to current
2018-08-08	Roland Schulz	Fix part of old-style casting	blob \| commitdiff \| raw \| diff to current
2018-07-30	Joe Jordan	remove most debug flags from gmxpreprocess	blob \| commitdiff \| raw \| diff to current
2018-07-17	Joe Jordan	change gmx_bool to bool in gmxpreprocess	blob \| commitdiff \| raw \| diff to current
2018-07-16	Roland Schulz	Warn for type mismatch for gmx printf like functions 1/3	blob \| commitdiff \| raw \| diff to current
2018-07-11	Roland Schulz	Clang warnings	blob \| commitdiff \| raw \| diff to current
2018-07-04	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-07-01	Roland Schulz	clang-tidy: readability-non-const-parameter (2/2)	blob \| commitdiff \| raw \| diff to current
2018-06-29	Roland Schulz	clang-tidy: misleading-indentation+noexcept-move	blob \| commitdiff \| raw \| diff to current
2018-04-03	Mark Abraham	Merge "Merge branch release-2018"	blob \| commitdiff \| raw \| diff to current
2018-03-28	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-03-20	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-03-09	Berk Hess	Correct pdb2gmx -missing option	blob \| commitdiff \| raw \| diff to current
2018-02-16	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-14	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
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