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

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

[alexxy/gromacs.git] / src / gromacs / domdec / domdec.cpp

2019-09-04	Berk Hess	Move constraint and bonded filtering info into DDSystemInfo	blob \| commitdiff \| raw
2019-09-04	Berk Hess	Move update grouping to DDSystemInfo	blob \| commitdiff \| raw \| diff to current
2019-09-04	Berk Hess	Change DD pme force buffer to std::vector	blob \| commitdiff \| raw \| diff to current
2019-09-04	Berk Hess	Initialize all members of gmx_domdec_t	blob \| commitdiff \| raw \| diff to current
2019-09-03	Berk Hess	Extract DDSystemInfo from gmx_domdec_comm_t	blob \| commitdiff \| raw \| diff to current
2019-09-03	Berk Hess	Unify manual and auto DD grid choices	blob \| commitdiff \| raw \| diff to current
2019-09-03	Berk Hess	Remove gmx_domdec_t from dd_choose_grid()	blob \| commitdiff \| raw \| diff to current
2019-09-03	Berk Hess	Extact UnitCellInfo from gmx_domdec_t	blob \| commitdiff \| raw \| diff to current
2019-08-22	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-08-20	Berk Hess	Use shiftForces in ForceOuputs	blob \| commitdiff \| raw \| diff to current
2019-08-20	Mark Abraham	Fix issues for clang-analyzer-8	blob \| commitdiff \| raw \| diff to current
2019-08-16	Mark Abraham	Update testing matrices and fix warnings	blob \| commitdiff \| raw \| diff to current
2019-08-05	Berk Hess	Make box const in do_force()	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
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-06-11	Mark Abraham	Initialize all of gmx_domdec_comm_t	blob \| commitdiff \| raw \| diff to current
2019-04-18	Berk Hess	Remove charge groups from domdec and localtop	blob \| commitdiff \| raw \| diff to current
2019-04-17	Berk Hess	Simplify vsite PBC handling	blob \| commitdiff \| raw \| diff to current
2019-03-28	Mark Abraham	Move DomdecOptions into its own header	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 branch 'release-2019' into master	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
2019-02-02	Roland Schulz	Renamed listed-forces to listed_forces	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-2018 into 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
2018-12-17	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
2018-10-18	Berk Hess	Add env.var. to disable update groups	blob \| commitdiff \| raw \| diff to current
2018-10-09	Roland Schulz	Fix MSAN errors	blob \| commitdiff \| raw \| diff to current
2018-10-08	Berk Hess	Enable update groups	blob \| commitdiff \| raw \| diff to current
2018-10-05	Berk Hess	Add update groups to DD atom displacement	blob \| commitdiff \| raw \| diff to current
2018-10-02	Berk Hess	Update DD cutoffs for update groups	blob \| commitdiff \| raw \| diff to current
2018-09-29	Berk Hess	Add UpdateGroupsCog to DD	blob \| commitdiff \| raw \| diff to current
2018-09-28	Mark Abraham	Use more default initialization of mdrun structs	blob \| commitdiff \| raw \| diff to current
2018-09-22	Berk Hess	Add update groups boolean to DD	blob \| commitdiff \| raw \| diff to current
2018-09-22	Berk Hess	Rename DD constraint booleans	blob \| commitdiff \| raw \| diff to current
2018-09-18	Mark Abraham	Separated partitioning and dlb code within domdec	blob \| commitdiff \| raw \| diff to current
2018-09-18	Berk Hess	Refactor ddbox handling	blob \| commitdiff \| raw \| diff to current
2018-09-17	Pascal Merz	Fix typo in DD load balancing printing	blob \| commitdiff \| raw \| diff to current
2018-09-14	Berk Hess	Change gmx_moltype_t.ilist to InteractionLists	blob \| commitdiff \| raw \| diff to current
2018-09-14	Roland Schulz	Warn for type mismatch for gmx printf like functions 3/3	blob \| commitdiff \| raw \| diff to current
2018-09-13	Berk Hess	Add C++ version of t_ilist	blob \| commitdiff \| raw \| diff to current
2018-09-11	Mark Abraham	Improve DD logging	blob \| commitdiff \| raw \| diff to current
2018-09-10	Roland Schulz	Replace rounding using int(x+0.5) with roundToInt	blob \| commitdiff \| raw \| diff to current
2018-09-02	Roland Schulz	Turn DlbState into scoped enum	blob \| commitdiff \| raw \| diff to current
2018-09-02	Kevin Boyd	Fixed bug reporting initial DLB state	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
2018-08-21	Berk Hess	Ensure domains are large enough for atom motion	blob \| commitdiff \| raw \| diff to current
2018-08-20	Berk Hess	Remove compacting from DD redistribute	blob \| commitdiff \| raw \| diff to current
2018-08-20	Berk Hess	Make gmx_ga2la_t a proper class	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	readability-implicit-bool-conversion 2/2	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	readability-implicit-bool-conversion 1/2	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	clang-tidy modernize	blob \| commitdiff \| raw \| diff to current
2018-08-14	Roland Schulz	Fix int/bool bugs	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	Christian Blau	Local atom sets in rotational pulling.	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
2018-08-07	Christian Blau	Local atom sets in compEL / ion swapping code.	blob \| commitdiff \| raw \| diff to current
2018-08-06	Roland Schulz	Change gmx_bool from int to bool	blob \| commitdiff \| raw \| diff to current
2018-08-05	Mark Abraham	Reform enforced rotation working data	blob \| commitdiff \| raw \| diff to current
2018-07-18	Berk Hess	Apply local atom sets in pull code	blob \| commitdiff \| raw \| diff to current
2018-07-17	Christian Blau	Local atom set handling during simulations.	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
2018-07-10	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
2018-07-03	Roland Schulz	Fix post-submit issues	blob \| commitdiff \| raw \| diff to current
2018-07-03	Roland Schulz	Change ArrayRef::size_type to signed	blob \| commitdiff \| raw \| diff to current
2018-07-02	Berk Hess	Convert DD DLB cell size handling to C++	blob \| commitdiff \| raw \| diff to current
2018-07-02	Berk Hess	Fix recent bug with 2D/3D DLB	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	Berk Hess	Initialize DD DLB variable	blob \| commitdiff \| raw \| diff to current
2018-06-29	Roland Schulz	clang-tidy: add modernize nullptr & emplace	blob \| commitdiff \| raw \| diff to current
2018-06-28	Berk Hess	Rename atomGroups in gmx_domdec_t to atomGrouping	blob \| commitdiff \| raw \| diff to current
2018-06-28	Berk Hess	Clean up dd_move_cellx()	blob \| commitdiff \| raw \| diff to current
2018-06-28	Berk Hess	Convert gmx_domdec_sort_t to C++	blob \| commitdiff \| raw \| diff to current
2018-06-28	Berk Hess	Change BlockRanges to class RangePartitioning	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
2018-06-28	Roland Schulz	Clang-tidy: enable further tests	blob \| commitdiff \| raw \| diff to current
2018-06-27	Berk Hess	Fix bug with 2D/3D triclinic DD	blob \| commitdiff \| raw \| diff to current
2018-06-27	Berk Hess	Base vacuum DD on atom coordinates	blob \| commitdiff \| raw \| diff to current
2018-06-27	Berk Hess	Partial conversion of gmx_domdec_comm_t to C++	blob \| commitdiff \| raw \| diff to current
2018-06-27	Berk Hess	Template and overload dd_sendrecv functions	blob \| commitdiff \| raw \| diff to current
2018-06-27	Berk Hess	Correct DD zone size loop bound	blob \| commitdiff \| raw \| diff to current
2018-06-14	Berk Hess	Introduced DDAtomRanges class	blob \| commitdiff \| raw \| diff to current
2018-06-13	Mark Abraham	Call Constraints::setConstraints with other setup code	blob \| commitdiff \| raw \| diff to current
2018-06-13	Berk Hess	Partial conversion of gmx_domdec_t to C++	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
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