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

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

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

2021-10-18	Andrey Alekseenko	Merge release-2021 into master	blob \| commitdiff \| raw
2021-09-27	Mark Abraham	Use ObservablesReducer for LINCS RMSD computation	blob \| commitdiff \| raw
2021-09-25	Berk Hess	Replace DOMAINDECOMP macro by a renamed function	blob \| commitdiff \| raw \| diff to current
2021-09-24	Berk Hess	Also use DD partitioning in serial	blob \| commitdiff \| raw \| diff to current
2021-09-14	Andrey Alekseenko	Merge remote-tracking branch 'origin/release-2021'...	blob \| commitdiff \| raw \| diff to current
2021-08-19	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
2021-06-03	Berk Hess	Minor pull code cleanup	blob \| commitdiff \| raw \| diff to current
2021-05-13	Mark Abraham	Decouple update group handling from domain decompositio...	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
2021-05-04	Mark Abraham	Decouple update-group aspects of vsites and constraints	blob \| commitdiff \| raw \| diff to current
2021-04-30	Mark Abraham	Prohibit SETTLE interactions on atoms with perturbed...	blob \| commitdiff \| raw \| diff to current
2021-04-21	Joe Jordan	Rename some enum names in ModuleMultiThread	blob \| commitdiff \| raw \| diff to current
2021-04-20	Joe Jordan	Use enum class for gmx_omp_nthreads	blob \| commitdiff \| raw \| diff to current
2021-04-14	Paul Bauer	Modernize wallcycle counting	blob \| commitdiff \| raw \| diff to current
2021-03-25	Joe Jordan	Use ArrayRef in special forces	blob \| commitdiff \| raw \| diff to current
2021-03-25	Joe Jordan	Use ArrayRef in signatures of constraints and some...	blob \| commitdiff \| raw \| diff to current
2021-03-07	Andrey Alekseenko	Fix clang-tidy complaint failing our CI lint test	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
2021-03-03	Pascal Merz	Remove velocity from partially frozen atoms in md-vv	blob \| commitdiff \| raw \| diff to current
2021-03-02	Paul Bauer	Modernize atom enums	blob \| commitdiff \| raw \| diff to current
2021-02-28	Joe Jordan	Use more const ref in domdec API	blob \| commitdiff \| raw \| diff to current
2021-02-22	Paul Bauer	Refactor md_enums	blob \| commitdiff \| raw \| diff to current
2021-02-17	Pascal Merz	Introduce test checking freeze groups	blob \| commitdiff \| raw \| diff to current
2021-02-12	Mark Abraham	Merge branch release-2021 into master	blob \| commitdiff \| raw \| diff to current
2021-02-09	Pascal Merz	Make temperature and pressure coupling enums enum classes	blob \| commitdiff \| raw \| diff to current
2021-01-29	Mark Abraham	Merge branch release-2021	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-2020' into merge-2020...	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
2020-10-13	Joe Jordan	Fix segfault in pull reading	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
2020-06-08	Artem Zhmurov	Move constraints related logic to constraints file	blob \| commitdiff \| raw \| diff to current
2020-06-03	Berk Hess	Turn SettleData into a class	blob \| commitdiff \| raw \| diff to current
2020-05-26	Artem Zhmurov	Remove the dependence on Constraints object on t_mdatoms	blob \| commitdiff \| raw \| diff to current
2020-05-23	Artem Zhmurov	Remove dependence on t_mdatoms from pull code	blob \| commitdiff \| raw \| diff to current
2020-05-22	Artem Zhmurov	Remove dependence of constraints on t_mdatoms	blob \| commitdiff \| raw \| diff to current
2020-05-22	Artem Zhmurov	Remove dependence of constraints on t_mdatoms	blob \| commitdiff \| raw \| diff to current
2020-05-19	Paul Bauer	Remove unnecessary includes of arrayref.h	blob \| commitdiff \| raw \| diff to current
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-03-07	Berk Hess	Make shake work without graph	blob \| commitdiff \| raw \| diff to current
2020-03-05	Berk Hess	Add InteractionDefinitions	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
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-22	Berk Hess	Minor cleanup in constraint and shellfc code	blob \| commitdiff \| raw \| diff to current
2020-01-20	Berk Hess	Use ArrayRef(WithPadding) in constraint code	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
2020-01-07	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-07	Paul Bauer	Merge commit d30f2cb6 from release-2020 into master	blob \| commitdiff \| raw \| diff to current
2019-12-27	Paul Bauer	Merge origin/release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-12-22	Berk Hess	Use ListOfLists for atom to constraint mapping	blob \| commitdiff \| raw \| diff to current
2019-12-19	ejjordan	Change some domdec data members to RVec or IVec	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
2019-10-01	Berk Hess	Completely remove charge groups	blob \| commitdiff \| raw \| diff to current
2019-09-27	Artem Zhmurov	Slight improvements to GPU update/constraints initializ...	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
2019-09-05	Pascal Merz	Make do_constrain_first() independent of t_state	blob \| commitdiff \| raw \| diff to current
2019-09-04	Berk Hess	Move constraint and bonded filtering info into DDSystemInfo	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
2019-08-16	Mark Abraham	Update testing matrices and fix warnings	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-06-18	Artem Zhmurov	Combine CUDA Leap-Frog, LINCS and SETTLE. I.	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-04-30	Artem Zhmurov	CUDA version of SETTLE algorithm with basic tests	blob \| commitdiff \| raw \| diff to current
2019-04-28	Artem Zhmurov	CUDA version of LINCS constraints.	blob \| commitdiff \| raw \| diff to current
2019-04-18	Berk Hess	Remove charge groups from domdec and localtop	blob \| commitdiff \| raw \| diff to current
2019-04-18	Mark Abraham	Move pull work struct out of inputrec	blob \| commitdiff \| raw \| diff to current
2019-03-18	Prashanth Kanduri	Moving do_constraints_first(...) to constr.h	blob \| commitdiff \| raw \| diff to current
2019-03-07	Mark Abraham	Eliminate mdlib/mdrun.h	blob \| commitdiff \| raw \| diff to current
2019-03-06	Mark Abraham	Revert "Eliminate mdlib/mdrun.h"	blob \| commitdiff \| raw \| diff to current
2019-03-06	Mark Abraham	Eliminate mdlib/mdrun.h	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 "Merge branch 'release-2019' into master"	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-02-11	Roland Schulz	Remove EmptyArrayRef	blob \| commitdiff \| raw \| diff to current
2019-02-09	Berk Hess	Disallow rerun with perturbed masses or constraints	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
2019-01-13	Kevin Boyd	Fix small leak in constraints	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
2018-12-31	Kevin Boyd	Free more memory in constraints cleanup	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
2018-12-14	Berk Hess	Fixed nullptr derefence in LINCS error	blob \| commitdiff \| raw \| diff to current
2018-11-21	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
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