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

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

[alexxy/gromacs.git] / src / gromacs / mdlib / update.h

2021-10-29	Berk Hess	Reimplement constant acceleration groups	blob \| commitdiff \| raw
2021-10-18	Andrey Alekseenko	Merge release-2021 into master	blob \| commitdiff \| raw \| diff to current
2021-09-14	Andrey Alekseenko	Merge remote-tracking branch 'origin/release-2021'...	blob \| commitdiff \| raw \| diff to current
2021-08-30	Berk Hess	Make orires work with DD particle reordering	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
2021-04-21	ejjordan	Finish removing t_mdatoms from update module	blob \| commitdiff \| raw \| diff to current
2021-04-21	Joe Jordan	Mostly remove t_mdatoms from update signatures	blob \| commitdiff \| raw \| diff to current
2021-04-14	Paul Bauer	Modernize wallcycle counting	blob \| commitdiff \| raw \| diff to current
2021-04-12	Joe Jordan	Pass cFREEZE and cTC to update after DD partitioning	blob \| commitdiff \| raw \| diff to current
2021-04-12	ejjordan	Constructor for gmx_ekindata_t	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	Remove PrivateImplPointer in favour of std::unique_ptr	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
2020-11-24	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
2020-11-06	Artem Zhmurov	Fix doxygen comments formattig in update.h	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
2020-09-30	Berk Hess	Move computeSlowForces into stepWork	blob \| commitdiff \| raw \| diff to current
2020-08-31	Paul Bauer	Merge branch 'release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-06-24	Berk Hess	Add class ListedForces	blob \| commitdiff \| raw \| diff to current
2020-06-09	Artem Zhmurov	Make SD stuff private for update.cpp	blob \| commitdiff \| raw \| diff to current
2020-06-09	Artem Zhmurov	Make SD stuff private for update.cpp	blob \| commitdiff \| raw \| diff to current
2020-06-08	Artem Zhmurov	Move constraints related logic to constraints file	blob \| commitdiff \| raw \| diff to current
2020-06-05	Artem Zhmurov	Move calculation of kinetic energy to md_support	blob \| commitdiff \| raw \| diff to current
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-03-18	Berk Hess	Remove use of graph in do_force()	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
2020-02-24	Pascal Merz	Use ArrayRef in compute_globals	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
2019-11-30	Paul Bauer	Merge origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2019-11-29	Mark Abraham	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-28	Artem Zhmurov	Fix pressure coupling with GPU update	blob \| commitdiff \| raw \| diff to current
2019-11-25	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	blob \| commitdiff \| raw \| diff to current
2019-11-21	Mark Abraham	Merge branch 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
2019-11-13	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	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
2019-09-18	Pascal Merz	v-rescale thermostat for modular simulator	blob \| commitdiff \| raw \| diff to current
2019-09-15	Pascal Merz	Introduce the modular simulator	blob \| commitdiff \| raw \| diff to current
2019-08-28	Pascal Merz	Introduce MicroState for modular simulator	blob \| commitdiff \| raw \| diff to current
2019-08-22	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-08-01	Mark Abraham	Merge "Merge release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-07-31	Berk Hess	Remove vcm removal from compute_globals()	blob \| commitdiff \| raw \| diff to current
2019-07-11	Pascal Merz	Remove dependence of compute_globals on t_state	blob \| commitdiff \| raw \| diff to current
2019-07-09	Pascal Merz	Const qualifier for forces in update_coords	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-03-02	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
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	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
2019-01-22	Mark Abraham	Remove init_md and improve init_em	blob \| commitdiff \| raw \| diff to current
2019-01-21	Kevin Boyd	Convert gmx_update_t to C++	blob \| commitdiff \| raw \| diff to current
2019-01-07	Kevin Boyd	Clean up ekind struct	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
2018-12-28	Kevin Boyd	Convert gmx_stochd_t to C++	blob \| commitdiff \| raw \| diff to current
2018-12-27	Kevin Boyd	Use std::vector for trotter_seq	blob \| commitdiff \| raw \| diff to current
2018-12-27	Kevin Boyd	Remove unused function declarations in update.h	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
2018-11-20	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
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-10-25	Mark Abraham	Introduce ArrayRefWithPadding	blob \| commitdiff \| raw \| diff to current
2018-10-08	Mark Abraham	Implement PaddedVector	blob \| commitdiff \| raw \| diff to current
2018-09-29	Szilárd Páll	Fix constraints cycle counting	blob \| commitdiff \| raw \| diff to current
2018-09-11	Pascal Merz	Added trivial const qualifiers	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: google tests applicable	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
2018-07-04	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-06-05	Mark Abraham	Make proper BoxDeformation class	blob \| commitdiff \| raw \| diff to current
2018-06-05	Mark Abraham	Make Constraints a proper class	blob \| commitdiff \| raw \| diff to current
2018-05-03	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-04-25	Mark Abraham	Refactor SD update	blob \| commitdiff \| raw \| diff to current
2018-04-17	Mark Abraham	Shift per-step control logic to do_md	blob \| commitdiff \| raw \| diff to current
2018-04-17	Mark Abraham	Break apart update_constraints	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
2018-03-13	Mark Abraham	Add more const to uses of t_commrec and t_inputrec	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
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