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

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

[alexxy/gromacs.git] / src / kernel / md_openmm.c

2010-09-25	Rossen Apostolov	mdrun-gpu now doesn't output individual energy term...	blob \| commitdiff \| raw
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-25	Erik Lindahl	Added missing header include	blob \| commitdiff \| raw \| diff to current
2010-08-25	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-24	Erik Lindahl	Re-added openmm paper	blob \| commitdiff \| raw \| diff to current
2010-08-21	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-20	Sander Pronk	Added support for new mdp options controlling free...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Rossen Apostolov	Fixed the execution order in OpenMM so that the generat...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-18	Berk Hess	removed the bNEMD boolean from the main MD loop and...	blob \| commitdiff \| raw \| diff to current
2010-07-30	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-30	Berk	commented out nthreads and threadid in t_commrec to...	blob \| commitdiff \| raw \| diff to current
2010-06-18	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-17	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-11	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-10	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-10	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-10	Szilard Pall	fixed logging output in do_md_openmm	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Szilard Pall	Fix in openmm_wrapper which makes it work with MSVC.	blob \| commitdiff \| raw \| diff to current
2010-05-12	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Sander Pronk	Now does something useful with the USR1 signal.	blob \| commitdiff \| raw \| diff to current
2010-05-12	Szilard Pall	fixed signal handling in md_openmm	blob \| commitdiff \| raw \| diff to current
2010-05-10	Sander Pronk	openmm fix for last commit	blob \| commitdiff \| raw \| diff to current
2010-05-10	Sander Pronk	Cleaned up signal handling code.	blob \| commitdiff \| raw \| diff to current
2010-05-07	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-07	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-07	Szilard Pall	added gromacs file headers to the OpenMM-related files	blob \| commitdiff \| raw \| diff to current
2010-05-07	Szilard Pall	minor fixes, documentation and slight API change in...	blob \| commitdiff \| raw \| diff to current
2010-05-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-04-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-13	Szilard Pall	cleaned up a bunch op mess in do_md_openmm	blob \| commitdiff \| raw \| diff to current
2010-04-13	Szilard Pall	bugfix for do_md_openmm - was always pulling data from...	blob \| commitdiff \| raw \| diff to current
2010-04-13	Szilard Pall	fixed timing bug in do_md_openmm	blob \| commitdiff \| raw \| diff to current
2010-04-04	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-24	Rossen Apostolov	Signal handling is now enabled for the openmm platform.	blob \| commitdiff \| raw \| diff to current
2010-03-18	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-17	Rossen Apostolov	openmm: some cleanup in md_openmm.c and mdrun.c	blob \| commitdiff \| raw \| diff to current
2010-03-15	Sander Pronk	Now auto-detects the number of hardware threads and...	blob \| commitdiff \| raw \| diff to current
2010-03-12	Peter Kasson	Fixed C99 -> C syntax for md_openmm.c	blob \| commitdiff \| raw \| diff to current
2010-03-12	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-12	Rossen Apostolov	Enabled checkpoints in OpenMM.	blob \| commitdiff \| raw \| diff to current
2010-03-11	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-11	Rossen Apostolov	Various fixes.	blob \| commitdiff \| raw \| diff to current
2010-03-11	Rossen Apostolov	Enalbed -maxh option for usage with OpenMM binaries	blob \| commitdiff \| raw \| diff to current
2010-03-11	Rossen Apostolov	Cleaned up do_md_openmm.	blob \| commitdiff \| raw \| diff to current
2010-03-11	Szilard Pall	Minor cleanup, some rearrangaments, and commenting.	blob \| commitdiff \| raw \| diff to current
2010-03-11	Szilard Pall	Renamed md_openmm into openmm_wrapper, and do_md_openmm...	blob \| commitdiff \| raw \| diff to current

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