BioD PNPI Git Repos - alexxy/gromacs.git/history - src/gromacs/mdlib/md

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

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

2019-01-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw
2018-12-31	Kevin Boyd	Only report intra-sim communication with multiple ranks	blob \| commitdiff \| raw \| diff to current
2018-12-31	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-19	Paul Bauer	Merge "Merge release-2019 branch into master"	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
2018-11-29	Magnus Lundborg	Make pull with COM from previous step work with MPI	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
2018-10-09	Berk Hess	Fix compiler warning	blob \| commitdiff \| raw \| diff to current
2018-10-08	Mark Abraham	Implement PaddedVector	blob \| commitdiff \| raw \| diff to current
2018-10-03	Magnus Lundborg	Allow using COM of previous step as PBC reference	blob \| commitdiff \| raw \| diff to current
2018-09-21	Pascal Merz	Make CGLO_CHECK_NUMBER_OF_BONDED_INTERACTIONS require...	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	readability-implicit-bool-conversion 2/2	blob \| commitdiff \| raw \| diff to current
2018-08-08	Roland Schulz	Fix part of old-style casting	blob \| commitdiff \| raw \| diff to current
2018-08-08	Roland Schulz	Remove gmx custom fixed int (e.g. gmx_int64_t) types	blob \| commitdiff \| raw \| diff to current
2018-07-06	Mark Abraham	Merge "Merge release-2018 into master"	blob \| commitdiff \| raw \| diff to current
2018-07-04	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-07-02	Mark Abraham	Remove some pieces from forcerec.h	blob \| commitdiff \| raw \| diff to current
2018-06-28	Roland Schulz	clang-tidy: performance-type-promotion-in-math-fn	blob \| commitdiff \| raw \| diff to current
2018-06-12	Berk Hess	Avoid COM removal moving frozen atoms	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
2018-04-13	Mark Abraham	Clean up constraints code	blob \| commitdiff \| raw \| diff to current
2018-04-12	Mark Abraham	Remove use of where(), if DEBUG etc.	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
2018-03-06	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-27	Aleksei Iupinov	Merge branch 'release-2018'	blob \| commitdiff \| raw \| diff to current
2018-02-16	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-16	Mark Abraham	Merge branch release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-02-14	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-02-09	Mark Abraham	Merge branch 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
2018-02-08	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-19	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-17	Aleksei Iupinov	Merge branch 'release-2018' into master	blob \| commitdiff \| raw \| diff to current
2018-01-16	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-01-09	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2018-01-04	Mark Abraham	Merge branch 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 "Merge branch release-2016 into release-2018...	blob \| commitdiff \| raw \| diff to current
2017-12-20	Mark Abraham	Merge branch release-2016 into release-2018	blob \| commitdiff \| raw \| diff to current
2017-12-19	Berk Hess	Make acceleration correction VCM mode work	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
2017-11-02	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
2017-10-06	Berk Hess	Add acceleration correction VCM mode	blob \| commitdiff \| raw \| diff to current
2017-09-25	Berk Hess	Set global state on master rank only	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
2017-09-07	Berk Hess	Fix FEP state with rerun	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
2017-08-22	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
2017-07-09	Berk Hess	Restructure the load balancing timing	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
2017-05-23	Berk Hess	Add conserved quantity for Berendsen P-couple	blob \| commitdiff \| raw \| diff to current
2017-05-23	Berk Hess	Add conserved q. for PR and Berendsen T-couple	blob \| commitdiff \| raw \| diff to current
2017-05-22	Berk Hess	Introduce ObservablesHistory container	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
2017-02-09	Mark Abraham	Improved state_change_natoms and used it more	blob \| commitdiff \| raw \| diff to current
2017-02-08	Gerrit Code Review	Merge "Merge branch 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
2017-01-30	Mark Abraham	Fix multi-domain reruns	blob \| commitdiff \| raw \| diff to current
2017-01-21	Mark Abraham	Removed init_state	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
2016-10-15	Berk Hess	Move energyhistory_t out of t_state	blob \| commitdiff \| raw \| diff to current
2016-10-15	Teemu Murtola	Work around memory leak in t_state	blob \| commitdiff \| raw \| diff to current
2016-10-14	Berk Hess	Apply Berendsen P-couple at nstpcouple steps	blob \| commitdiff \| raw \| diff to current
2016-10-12	Berk Hess	Refactor NPT energy calculation	blob \| commitdiff \| raw \| diff to current
2016-10-09	Mark Abraham	Merge branch release-2016	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
2016-09-29	Berk Hess	Use std::vector in t_state	blob \| commitdiff \| raw \| diff to current
2016-09-16	Berk Hess	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-13	Berk Hess	Moved expanded ensemble history to pointer in t_state	blob \| commitdiff \| raw \| diff to current
2016-09-13	Berk Hess	Change ED and swapstate to pointers in t_state	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
2016-09-04	Berk Hess	Merge branch 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
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