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

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

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

2021-02-03	Mark Abraham	Remove support for Intel classic compiler	blob \| commitdiff \| raw
2021-01-29	Mark Abraham	Merge branch release-2021	blob \| commitdiff \| raw \| diff to current
2021-01-27	Pascal Merz	Remove constant acceleration groups	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
2020-10-07	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
2020-04-07	Pascal Merz	Require explicit MPI_COMM for gmx_bcast and gmx_barrier	blob \| commitdiff \| raw \| diff to current
2020-03-19	Berk Hess	Simplify finish_update()	blob \| commitdiff \| raw \| diff to current
2020-03-18	Berk Hess	Remove use of graph in do_force()	blob \| commitdiff \| raw \| diff to current
2020-03-17	Berk Hess	Convert t_graph to C++	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
2020-02-23	ejjordan	Use more forward declarations to removed header depende...	blob \| commitdiff \| raw \| diff to current
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-20	Berk Hess	Use ArrayRef(WithPadding) in constraint code	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
2019-08-28	Pascal Merz	Introduce MicroState for modular simulator	blob \| commitdiff \| raw \| diff to current
2019-08-23	Szilárd Páll	Fix clang-tidy warnings in the OpenCL build	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
2019-08-08	Mark Abraham	Initialize gmx_ekindata_t and t_vcm properly	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
2019-05-22	Mark Abraham	Introduce tri-state enums for restarts	blob \| commitdiff \| raw \| diff to current
2019-04-04	Artem Zhmurov	Remove isPressureCouplingStep(...)	blob \| commitdiff \| raw \| diff to current
2019-04-04	Artem Zhmurov	Remove isTemperatureCouplingStep(...)	blob \| commitdiff \| raw \| diff to current
2019-04-02	Paul Bauer	Refactor gmx_group_t to SimulationAtomGroups	blob \| commitdiff \| raw \| diff to current
2019-03-27	Prashanth Kanduri	Move stat function declarations to a new stat.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 branch 'release-2019' into master	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-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
2019-01-21	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
2018-12-22	Jiannan Liu	Missing factor of 2 in cos-acceleration	blob \| commitdiff \| raw \| diff to current
2018-12-19	Jiannan Liu	Missing factor of 2 in cos-acceleration	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
2018-09-10	Roland Schulz	Replace rounding using int(x+0.5) with roundToInt	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
2018-08-21	Mark Abraham	Fix assertions for SD update	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	clang-tidy modernize	blob \| commitdiff \| raw \| diff to current
2018-08-13	Roland Schulz	Remove cppcheck	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
2018-07-11	Roland Schulz	Clang warnings	blob \| commitdiff \| raw \| diff to current
2018-07-04	Roland Schulz	Merge release-2018 into master	blob \| commitdiff \| raw \| diff to current
2018-07-03	Roland Schulz	Change ArrayRef::size_type to signed	blob \| commitdiff \| raw \| diff to current
2018-07-01	Roland Schulz	clang-tidy: readability-non-const-parameter (2/2)	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
2018-05-25	Mark Abraham	Clean up force.h and its use	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
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