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

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

[alexxy/gromacs.git] / src / gromacs / mdlib / qmmm.cpp

2019-04-02	Paul Bauer	Refactor gmx_group_t to SimulationAtomGroups	blob \| commitdiff \| raw
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
2019-02-07	Roland Schulz	Revert size to be unsigned for ArrayRef	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
2019-01-26	Roland Schulz	Fix clang warning	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	Roland Schulz	Turn SystemAtomIterator into proper iterator	blob \| commitdiff \| raw \| diff to current
2019-01-23	Paul Bauer	Move QMMM charge setting to grompp	blob \| commitdiff \| raw \| diff to current
2019-01-18	Paul Bauer	Change one gmx_mtop_t atom loop to C++	blob \| commitdiff \| raw \| diff to current
2019-01-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-31	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-18	Szilárd Páll	Merge release-2019 branch into master	blob \| commitdiff \| raw \| diff to current
2018-12-17	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-10	Paul Bauer	Use more const references in topology code	blob \| commitdiff \| raw \| diff to current
2018-11-21	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-11-20	Mark Abraham	Merge "Merge release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2018-11-16	Roland Schulz	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2018-11-14	Mark Abraham	More warning suppressions for QMMM code	blob \| commitdiff \| raw \| diff to current
2018-11-07	Mark Abraham	Suppress clang warnings about QMMM code	blob \| commitdiff \| raw \| diff to current
2018-11-05	Paul Bauer	Make QM/MM code always compile	blob \| commitdiff \| raw \| diff to current
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-10-24	Paul Bauer	Update QM gaussian interface	blob \| commitdiff \| raw \| diff to current
2018-09-09	Paul Bauer	Remove macro for group type in topology	blob \| commitdiff \| raw \| diff to current
2018-08-29	Mark Abraham	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
2018-08-18	Roland Schulz	clang-tidy modernize	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
2018-07-10	Roland Schulz	Clang warnings: unreachable	blob \| commitdiff \| raw \| diff to current
2018-07-04	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-07-04	Roland Schulz	Enable more warnings for Clang 6	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: Enable bugprone-integer-division	blob \| commitdiff \| raw \| diff to current
2018-05-25	Mark Abraham	Clean up force.h and its use	blob \| commitdiff \| raw \| diff to current
2018-05-04	Mark Abraham	Merge "Merge branch release-2018"	blob \| commitdiff \| raw \| diff to current
2018-05-04	Mark Abraham	More const correctness	blob \| commitdiff \| raw \| diff to current
2018-05-03	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-04-13	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-04-03	Berk Hess	Convert gmx_mtop_t to C++	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
2018-03-13	Mark Abraham	Add more const to uses of t_commrec and t_inputrec	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
2018-02-08	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-01-09	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-22	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-21	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-12-20	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-12	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-04	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-11-03	Mark Abraham	Merge "Merge branch release-2016"	blob \| commitdiff \| raw \| diff to current
2017-11-02	Aleksei Iupinov	Replace math.h by cmath includes in cpp files	blob \| commitdiff \| raw \| diff to current
2017-11-02	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-10-20	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-10-16	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-28	tomaskubar	QM/MM: remove optimization and trans. state search	blob \| commitdiff \| raw \| diff to current
2017-09-17	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-12	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-12	Szilárd Páll	Merge branch 'release-2016'	blob \| commitdiff \| raw \| diff to current
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-08-29	Roland Schulz	Enable missing declarations warning	blob \| commitdiff \| raw \| diff to current
2017-08-22	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-06-28	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-06-27	Roland Schulz	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-05-09	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-03-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-03-14	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-15	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-07	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-05	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-31	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-14	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-11	Roland Schulz	Tidy: modernize-use-nullptr	blob \| commitdiff \| raw \| diff to current
2017-01-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-20	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-12	Teemu Murtola	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-07	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-13	Berk Hess	Extend mtop_lookup.h	blob \| commitdiff \| raw \| diff to current
2016-10-11	Berk Hess	Speed up mtop_util atom lookup	blob \| commitdiff \| raw \| diff to current
2016-10-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-02	Berk Hess	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-08-24	Berk Hess	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-29	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-30	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-27	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-22	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-17	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-05-12	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-05-05	Teemu Murtola	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
2016-04-28	Roland Schulz	Merge "Merge branch release-5-1"	blob \| commitdiff \| raw \| diff to current
2016-04-27	Mark Abraham	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
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