BioD PNPI Git Repos - alexxy/gromacs.git/history - src/gromacs/mdlib/sim

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

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

2017-10-09	Aleksei Iupinov	PME GPU/CUDA data framework.	blob \| commitdiff \| raw
2017-10-06	Berk Hess	Improve PaddedRVecVector resizing	blob \| commitdiff \| raw \| diff to current
2017-10-05	Szilárd Páll	Refactor scaled box handling for PME/Ewald	blob \| commitdiff \| raw \| diff to current
2017-10-05	Mark Abraham	Continue removing -nb gpu_cpu	blob \| commitdiff \| raw \| diff to current
2017-10-04	Berk Hess	Remove a force buffer argument from IForceProvider	blob \| commitdiff \| raw \| diff to current
2017-10-03	Berk Hess	Move calling of special force functions	blob \| commitdiff \| raw \| diff to current
2017-10-02	Berk Hess	Remove hybrid gpu+cpu nonbonded mode	blob \| commitdiff \| raw \| diff to current
2017-09-28	tomaskubar	QM/MM: remove optimization and trans. state search	blob \| commitdiff \| raw \| diff to current
2017-09-26	Szilárd Páll	Rename GPU launch/wait cycle counters	blob \| commitdiff \| raw \| diff to current
2017-09-25	Berk Hess	Set global state on master rank only	blob \| commitdiff \| raw \| diff to current
2017-09-17	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-15	Berk Hess	Remove nb-parameters from t_forcerec	blob \| commitdiff \| raw \| diff to current
2017-09-12	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-12	Szilárd Páll	Merge branch 'release-2016'	blob \| commitdiff \| raw \| diff to current
2017-09-07	Mark Abraham	Introduce type-safe GPU emulation variables	blob \| commitdiff \| raw \| diff to current
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-09-03	Berk Hess	Put mdrun options in structs	blob \| commitdiff \| raw \| diff to current
2017-08-29	Roland Schulz	Enable missing declarations warning	blob \| commitdiff \| raw \| diff to current
2017-08-22	Berk Hess	Enable dynamic pair list pruning	blob \| commitdiff \| raw \| diff to current
2017-08-22	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-08-18	Berk Hess	Add CPU reference and SIMD pruning kernels	blob \| commitdiff \| raw \| diff to current
2017-08-16	Berk Hess	Add dynamic pair-list pruning framework	blob \| commitdiff \| raw \| diff to current
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-07-09	Berk Hess	Restructure the load balancing timing	blob \| commitdiff \| raw \| diff to current
2017-07-04	Berk Hess	Unify nbnxn kernel dispatchers	blob \| commitdiff \| raw \| diff to current
2017-07-04	Mark Abraham	Clean up pick_nbnxn_resources	blob \| commitdiff \| raw \| diff to current
2017-06-30	M. Eric Irrgang	Mark unmodified input parameter as const.	blob \| commitdiff \| raw \| diff to current
2017-06-29	Teemu Murtola	Generalize IForceProvider	blob \| commitdiff \| raw \| diff to current
2017-06-28	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-06-27	Roland Schulz	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-05-09	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-04-03	Mark Abraham	Remove do_pbc_first	blob \| commitdiff \| raw \| diff to current
2017-03-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-03-18	Gerrit Code Review	Merge "Merge branch release-2016"	blob \| commitdiff \| raw \| diff to current
2017-03-14	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-03-09	Szilárd Páll	Fix mdrun hanging upon exit with sep PME ranks	blob \| commitdiff \| raw \| diff to current
2017-03-04	Teemu Murtola	Remove MDModules use from mdlib	blob \| commitdiff \| raw \| diff to current
2017-03-04	Teemu Murtola	Split md module facets to different interfaces	blob \| commitdiff \| raw \| diff to current
2017-02-27	Teemu Murtola	Remove module references from t_inputrec	blob \| commitdiff \| raw \| diff to current
2017-02-15	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-09	Mark Abraham	Improved state_change_natoms and used it more	blob \| commitdiff \| raw \| diff to current
2017-02-08	Gerrit Code Review	Merge "Merge branch release-2016"	blob \| commitdiff \| raw \| diff to current
2017-02-07	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-02-05	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-31	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-30	Mark Abraham	Don't print invalid performance data	blob \| commitdiff \| raw \| diff to current
2017-01-23	Mark Abraham	Stopped header files including state.h	blob \| commitdiff \| raw \| diff to current
2017-01-21	Mark Abraham	Removed init_state	blob \| commitdiff \| raw \| diff to current
2017-01-14	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2017-01-11	Roland Schulz	Tidy: modernize-use-nullptr	blob \| commitdiff \| raw \| diff to current
2017-01-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-20	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-12	Teemu Murtola	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-12-08	Berk Hess	Made mdrun -pforce terminate with non-finite forces	blob \| commitdiff \| raw \| diff to current
2016-12-07	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-31	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-28	Berk Hess	Fix DLB timing with CUDA and OpenCL	blob \| commitdiff \| raw \| diff to current
2016-10-09	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-10-07	David van der Spoel	Modularize electric field handling	blob \| commitdiff \| raw \| diff to current
2016-10-07	Berk Hess	Changed fr->f_novirsum to PaddedRVecVector	blob \| commitdiff \| raw \| diff to current
2016-10-03	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-29	Berk Hess	Use std::vector in t_state	blob \| commitdiff \| raw \| diff to current
2016-09-16	Berk Hess	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-05	David van der Spoel	Merge "Merge branch release-2016"	blob \| commitdiff \| raw \| diff to current
2016-09-04	Berk Hess	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-09-03	Berk Hess	Clean up PME flags variable use	blob \| commitdiff \| raw \| diff to current
2016-09-02	Berk Hess	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-08-24	Berk Hess	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-08-15	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-29	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-23	Roland Schulz	Merge release-2016 into master	blob \| commitdiff \| raw \| diff to current
2016-07-12	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-07-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-30	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-27	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-23	Mark Abraham	Merge branch release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-22	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-22	Berk Hess	Remove OpenMP overhead at high parallelization	blob \| commitdiff \| raw \| diff to current
2016-06-17	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-08	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-06-01	Teemu Murtola	Use C++ replacement for md_logging.*	blob \| commitdiff \| raw \| diff to current
2016-05-31	Berk Hess	Add check for finite energies	blob \| commitdiff \| raw \| diff to current
2016-05-12	Mark Abraham	Merge branch release-5-1 into release-2016	blob \| commitdiff \| raw \| diff to current
2016-05-10	Erik Lindahl	Flush streams when not writing newline character	blob \| commitdiff \| raw \| diff to current
2016-05-10	Roland Schulz	Add OpenMP for functions limiting scaling	blob \| commitdiff \| raw \| diff to current
2016-05-05	Teemu Murtola	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
2016-04-27	Mark Abraham	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
2016-04-27	Teemu Murtola	Merge "Merge branch release-5-1"	blob \| commitdiff \| raw \| diff to current
2016-04-14	Mark Abraham	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
2016-03-15	Mark Abraham	Merge branch release-5-0 into release-5-1	blob \| commitdiff \| raw \| diff to current
2016-03-11	Mark Abraham	Merge branch release-5-0 into release-5-1	blob \| commitdiff \| raw \| diff to current
2016-02-21	Mark Abraham	Separate table construction	blob \| commitdiff \| raw \| diff to current
2016-02-19	Mark Abraham	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
2016-02-16	Mark Abraham	Merge branch release-5-0 into release-5-1	blob \| commitdiff \| raw \| diff to current
2016-02-08	Mark Abraham	Merge branch release-5-0 into release-5-1	blob \| commitdiff \| raw \| diff to current
2016-02-06	Mark Abraham	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
2016-02-03	Mark Abraham	Merge release-5-0 into release-5-1	blob \| commitdiff \| raw \| diff to current
2016-01-28	Mark Abraham	Merge branch release-5-1	blob \| commitdiff \| raw \| diff to current
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