BioD PNPI Git Repos - alexxy/gromacs.git/history - src/gromacs/mdrun/minimize.cpp

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

[alexxy/gromacs.git] / src / gromacs / mdrun / minimize.cpp

2019-03-07	Mark Abraham	Eliminate mdlib/mdrun.h	blob \| commitdiff \| raw
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
2019-03-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-02-27	Berk Hess	Collect dispersion correction code	blob \| commitdiff \| raw \| diff to current
2019-02-26	Berk Hess	Clean up mtop pbc functions	blob \| commitdiff \| raw \| diff to current
2019-02-25	Mark Abraham	Move code out of sim_util.cpp	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	Berk Hess	Refactor DLB region handling	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-02-13	Mark Abraham	Make EnergyOutput wrapper class	blob \| commitdiff \| raw \| diff to current
2019-02-11	Roland Schulz	Remove EmptyArrayRef	blob \| commitdiff \| raw \| diff to current
2019-02-07	Roland Schulz	Add ssize and remove static_casts	blob \| commitdiff \| raw \| diff to current
2019-02-04	Paul Bauer	Fix segmentation fault in minimize	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
2019-02-02	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
2019-01-25	Mark Abraham	Bump required gcc compiler to 5.1	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	Mark Abraham	Clean up initialize_lambdas	blob \| commitdiff \| raw \| diff to current
2019-01-04	Paul Bauer	Change gmx_localtop_t to C++	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
2018-11-22	Mark Abraham	Introduce PpForceWorkload	blob \| commitdiff \| raw \| diff to current
2018-11-22	Mark Abraham	Merge "Merge branch 'release-2019'"	blob \| commitdiff \| raw \| diff to current
2018-11-21	David van der Spoel	Merge branch '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
2018-10-13	Mark Abraham	Deprecate various functionality in GROMACS 2019	blob \| commitdiff \| raw \| diff to current
2018-10-09	Roland Schulz	Fix MSAN errors	blob \| commitdiff \| raw \| diff to current
2018-10-08	Mark Abraham	Implement PaddedVector	blob \| commitdiff \| raw \| diff to current
2018-10-04	Mark Abraham	Simplify EM usage of mdebin	blob \| commitdiff \| raw \| diff to current
2018-10-03	Mark Abraham	Add end-to-end tests of energy minimization	blob \| commitdiff \| raw \| diff to current
2018-10-01	Paul Bauer	Change get_atom_index to return int	blob \| commitdiff \| raw \| diff to current
2018-09-18	Mark Abraham	Separated partitioning and dlb code within domdec	blob \| commitdiff \| raw \| diff to current
2018-09-11	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
2018-08-29	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
2018-08-22	Mark Abraham	Fix handling of counter resets	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	readability-implicit-bool-conversion 2/2	blob \| commitdiff \| raw \| diff to current
2018-08-13	Roland Schulz	Remove cppcheck	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
2018-08-06	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
2018-07-16	Roland Schulz	Warn for type mismatch for gmx printf like functions 1/3	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
2018-06-28	Roland Schulz	clang-tidy: performance-type-promotion-in-math-fn	blob \| commitdiff \| raw \| diff to current
2018-06-14	Berk Hess	Minimization now detects infinite forces	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 Constraints a proper class	blob \| commitdiff \| raw \| diff to current
2018-06-04	Mark Abraham	Update Awh initialization and lifetime management	blob \| commitdiff \| raw \| diff to current
2018-05-04	Mark Abraham	Merge "Merge branch release-2018"	blob \| commitdiff \| raw \| diff to current
2018-05-04	Mark Abraham	More const correctness	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
2018-04-12	Mark Abraham	Reorganize energy evaluation for EM	blob \| commitdiff \| raw \| diff to current
2018-04-05	Mark Abraham	Simplified handling of simulation runners	blob \| commitdiff \| raw \| diff to current
2018-04-05	Mark Abraham	Create gromacs/mdrun module and move code there	blob \| commitdiff \| raw \| diff to current

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