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

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

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

2021-02-28	Joe Jordan	Use more const ref in domdec API	blob \| commitdiff \| raw
2021-02-22	Joe Jordan	Hold unique_ptr to gmx_ewald_tab_t in forcerec	blob \| commitdiff \| raw \| diff to current
2021-02-22	Paul Bauer	Refactor md_enums	blob \| commitdiff \| raw \| diff to current
2021-02-16	Joe Jordan	Use const ref to inputrec in do_force	blob \| commitdiff \| raw \| diff to current
2021-02-12	Mark Abraham	Merge branch release-2021 into master	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
2020-10-07	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
2020-09-02	Berk Hess	Move listed and wall forces out of do_force_lowlevel()	blob \| commitdiff \| raw \| diff to current
2020-09-02	Berk Hess	Enable splitting of listed interaction calculation	blob \| commitdiff \| raw \| diff to current
2020-08-31	Paul Bauer	Merge branch 'release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-07-31	Berk Hess	Move foreign potential energy accumulation	blob \| commitdiff \| raw \| diff to current
2020-06-24	Berk Hess	Add class ListedForces	blob \| commitdiff \| raw \| diff to current
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-03-18	Berk Hess	Remove use of graph in do_force()	blob \| commitdiff \| raw \| diff to current
2020-03-18	Berk Hess	Use WholeMoleculeTransform for orires and epsilon-surface	blob \| commitdiff \| raw \| diff to current
2020-03-17	Berk Hess	Convert t_graph to C++	blob \| commitdiff \| raw \| diff to current
2020-03-16	Christian Blau	Remove dysfunctional QMMM interface pt2	blob \| commitdiff \| raw \| diff to current
2020-03-05	Mark Abraham	Simplify PME step workload management	blob \| commitdiff \| raw \| diff to current
2020-03-05	Berk Hess	Add InteractionDefinitions	blob \| commitdiff \| raw \| diff to current
2020-03-04	Mark Abraham	Improve TPI handling	blob \| commitdiff \| raw \| diff to current
2020-03-04	Paul Bauer	Merge branch release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-03-03	Magnus Lundborg	Store dHdL for all neighbor lambdas	blob \| commitdiff \| raw \| diff to current
2020-02-28	Paul Bauer	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2020-02-23	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
2020-01-09	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
2019-12-19	ejjordan	Change some domdec data members to RVec or IVec	blob \| commitdiff \| raw \| diff to current
2019-12-12	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2019-11-30	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
2019-11-21	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
2019-11-14	ejjordan	Remove qm dependence on forcerec in do_force_lowlevel	blob \| commitdiff \| raw \| diff to current
2019-11-07	Paul Bauer	Apply clang-format to source tree	blob \| commitdiff \| raw \| diff to current
2019-11-01	Berk Hess	Add haveEwaldSurfaceContribution to SimulationWorkload	blob \| commitdiff \| raw \| diff to current
2019-10-29	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-10-08	Berk Hess	Simplify ewald_LRcorrection() call signature	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
2019-09-18	Szilárd Páll	Set up workload data structures	blob \| commitdiff \| raw \| diff to current
2019-09-10	Szilárd Páll	Eliminate raw force flags in do_force_lowlevel()	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
2019-08-16	Mark Abraham	Update testing matrices and fix warnings	blob \| commitdiff \| raw \| diff to current
2019-08-05	Berk Hess	Change ForceOutputs to a class	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-06-19	Berk Hess	Refactor PME atom handling	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-05-14	Berk Hess	Make all do_force_lowlevel() input const	blob \| commitdiff \| raw \| diff to current
2019-05-04	Berk Hess	Remove PME exclusion correction	blob \| commitdiff \| raw \| diff to current
2019-05-03	Berk Hess	Convert manage_threading_t and gmx_enerdata_t to C++	blob \| commitdiff \| raw \| diff to current
2019-04-16	Szilárd Páll	Move functions operating on enerdata out of force.cpp	blob \| commitdiff \| raw \| diff to current
2019-04-16	Szilárd Páll	Remove "coarse load balancing vars" from forcerec	blob \| commitdiff \| raw \| diff to current
2019-04-16	Szilárd Páll	Group scheme related cleanup	blob \| commitdiff \| raw \| diff to current
2019-04-16	Szilárd Páll	Remove Group scheme neighbor search wrapper	blob \| commitdiff \| raw \| diff to current
2019-04-02	Paul Bauer	Refactor gmx_group_t to SimulationAtomGroups	blob \| commitdiff \| raw \| diff to current
2019-03-26	Szilárd Páll	Skip PBC calculation when there are no listed forces	blob \| commitdiff \| raw \| diff to current
2019-03-26	Szilárd Páll	do_force_cutsVERLET cleanup	blob \| commitdiff \| raw \| diff to current
2019-03-21	Szilárd Páll	Reorder PBC setup in do_force_lowlevel	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	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
2019-02-20	Berk Hess	Fix mass Delta H double counting	blob \| commitdiff \| raw \| diff to current
2019-02-15	Berk Hess	Fix mass Delta H double counting	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
2019-02-02	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
2018-12-19	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
2018-12-03	Mark Abraham	Move responsibility for PME reduction to its module	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 "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
2018-10-26	Berk Hess	Add missing mass term to deltaH	blob \| commitdiff \| raw \| diff to current
2018-10-23	Berk Hess	Add missing constraint term to deltaH	blob \| commitdiff \| raw \| diff to current
2018-08-29	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-29	Berk Hess	Refactor wall potential calculation	blob \| commitdiff \| raw \| diff to current
2018-08-24	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	readability-implicit-bool-conversion 2/2	blob \| commitdiff \| raw \| diff to current
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