BioD PNPI Git Repos - alexxy/gromacs.git/history - src/gromacs/gmxpreprocess/readir.cpp

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

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.cpp

2021-01-07	Paul Bauer	Merge branch release-2020 into merge-2020-into-2021	blob \| commitdiff \| raw
2020-12-14	Paul Bauer	Fix pull group index handling	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
2020-11-05	Berk Hess	Disable MTS with SD integrator	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
2020-10-09	Berk Hess	Add MTS support for pull and AWH	blob \| commitdiff \| raw \| diff to current
2020-10-09	Christian Blau	Remove dysfunctional QMMM interface pt5	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
2020-10-01	Berk Hess	Move computeSlowForces into stepWork	blob \| commitdiff \| raw \| diff to current
2020-09-30	Berk Hess	Move computeSlowForces into stepWork	blob \| commitdiff \| raw \| diff to current
2020-09-25	Berk Hess	Fix grompp group handling with frozen system	blob \| commitdiff \| raw \| diff to current
2020-09-10	Christian Blau	Simplify and fix how lambda values are set	blob \| commitdiff \| raw \| diff to current
2020-09-08	Paul Bauer	Move densityfitting to its own directory	blob \| commitdiff \| raw \| diff to current
2020-08-31	Paul Bauer	Merge branch 'release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-08-20	Magnus Lundborg	Make it possible to use FEP lambda states as a reaction...	blob \| commitdiff \| raw \| diff to current
2020-06-08	Kevin Boyd	Replace nbnxn_buffer_flags_t with vector	blob \| commitdiff \| raw \| diff to current
2020-05-24	Kevin Boyd	Clean up grompp memory leaks in rotation and pull struc...	blob \| commitdiff \| raw \| diff to current
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-03-16	Christian Blau	Remove dysfunctional QMMM interface pt4	blob \| commitdiff \| raw \| diff to current
2020-03-16	Christian Blau	Remove dysfunctional QMMM interface pt3	blob \| commitdiff \| raw \| diff to current
2020-03-04	Magnus Lundborg	Separate AWH parameter reading and checking	blob \| commitdiff \| raw \| diff to current
2020-03-04	Paul Bauer	Merge "Merge branch release-2020 into master"	blob \| commitdiff \| raw \| diff to current
2020-03-04	Paul Bauer	Merge branch release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-03-02	Berk Hess	Fix center of mass motion removal with frozen atoms	blob \| commitdiff \| raw \| diff to current
2020-03-02	Berk Hess	Fix nrdf with partial COMM removal	blob \| commitdiff \| raw \| diff to current
2020-03-02	Paul Bauer	Revert "Remove frozen atoms from VCM groups"	blob \| commitdiff \| raw \| diff to current
2020-03-02	Paul Bauer	Remove frozen atoms from VCM groups	blob \| commitdiff \| raw \| diff to current
2020-02-28	Paul Bauer	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2020-02-18	Christian Blau	Split MdModuleNotifications into topics	blob \| commitdiff \| raw \| diff to current
2020-02-01	Artem Zhmurov	Merge "Merge branch origin/release-2020 into master"	blob \| commitdiff \| raw \| diff to current
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-24	Magnus Lundborg	Removed SC RPower 48 from FEP kernel	blob \| commitdiff \| raw \| diff to current
2020-01-22	Berk Hess	Clarify COMM/posres grompp note	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
2020-01-08	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
2019-12-18	Berk Hess	Change grompp decoupling SD warning to note	blob \| commitdiff \| raw \| diff to current
2019-12-17	Berk Hess	Add note for COM removal with position restraints	blob \| commitdiff \| raw \| diff to current
2019-12-12	Mark Abraham	Merge "Merge branch 'origin/release-2020' into master"	blob \| commitdiff \| raw \| diff to current
2019-12-12	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2019-12-04	Christian Blau	Remove cutoff-scheme group from default mdout.mdp output	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
2019-10-18	Berk Hess	Update grompp cutoff-scheme warnings	blob \| commitdiff \| raw \| diff to current
2019-10-01	Berk Hess	Completely remove charge groups	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	Mark Abraham	Merge "Merge branch release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2019-09-24	Paul Bauer	Merge branch release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-09-23	Pascal Merz	Parrinello-Rahman for md-vv	blob \| commitdiff \| raw \| diff to current
2019-09-23	Christian Blau	Grompp error for mismatching nst for energy calulation...	blob \| commitdiff \| raw \| diff to current
2019-09-17	Berk Hess	Fix todos for update groups	blob \| commitdiff \| raw \| diff to current
2019-09-16	Berk Hess	Remove obsolete mdp option ns-type	blob \| commitdiff \| raw \| diff to current
2019-09-12	Berk Hess	Enable TPI with the Verlet cut-off scheme	blob \| commitdiff \| raw \| diff to current
2019-09-01	Christian Blau	Add checkpointing for MdModules	blob \| commitdiff \| raw \| diff to current
2019-08-26	Christian Blau	Activation of density fitting and move of module notifi...	blob \| commitdiff \| raw \| diff to current
2019-08-25	Christian Blau	Index groups for MdModules from grompp	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
2019-08-20	Mark Abraham	Use potential-shift as default modifier	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	Move keyvaluetreewriter code	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-07-28	Berk Hess	Removed generalized reaction-field	blob \| commitdiff \| raw \| diff to current
2019-07-02	Kevin Boyd	Remove references to ecutsGROUP	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-05-03	Paul Bauer	Replace t_grps with std::vector	blob \| commitdiff \| raw \| diff to current
2019-04-16	Mark Abraham	Removed mdrun -gcom	blob \| commitdiff \| raw \| diff to current
2019-04-10	Mark Abraham	Start making IMD and swap model IMDModule	blob \| commitdiff \| raw \| diff to current
2019-04-04	Paul Bauer	Fix segmentation fault with simulated annealing	blob \| commitdiff \| raw \| diff to current
2019-04-02	Paul Bauer	Add std::string case insensitive compare	blob \| commitdiff \| raw \| diff to current
2019-04-02	Paul Bauer	Refactor gmx_group_t to SimulationAtomGroups	blob \| commitdiff \| raw \| diff to current
2019-04-02	Paul Bauer	Fix simulated annealing and add test	blob \| commitdiff \| raw \| diff to current
2019-03-04	Paul Bauer	Merge "Merge branch release-2019"	blob \| commitdiff \| raw \| diff to current
2019-03-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-02-26	Berk Hess	Correct grompp index file error message	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
2019-02-13	Paul Bauer	Move simulated tempering default setting	blob \| commitdiff \| raw \| diff to current
2019-02-07	Roland Schulz	Revert size to be unsigned for ArrayRef	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
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-01-26	Roland Schulz	Fix clang warning	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
2019-01-23	Roland Schulz	Turn SystemAtomIterator into proper iterator	blob \| commitdiff \| raw \| diff to current
2019-01-18	Paul Bauer	Change one gmx_mtop_t atom loop to C++	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
2018-12-18	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
2018-12-10	Paul Bauer	Use more const references in topology code	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
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