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

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

[alexxy/gromacs.git] / include / domdec.h

2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Cleaned up all installed headers to remove strict depen...	blob \| commitdiff \| raw \| diff to current
2010-07-28	Christoph Junghans	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-28	Berk Hess	renamed pme_maxshift0/1 to pme_maxshift_x/y	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Berk	fixed weak scaling performance which was hampered to...	blob \| commitdiff \| raw \| diff to current
2010-06-30	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-29	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-29	Berk	fixed PME communication issues with 1xNxM DD grid	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@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	Berk Hess	Merge commit 'origin/2dpme'	blob \| commitdiff \| raw \| diff to current
2010-04-30	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2010-04-29	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-01-19	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-04	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-04	Berk Hess	fixed the sorting of 1-4 FE interactions for foreign...	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-16	Roland Schulz	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-15	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-15	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-15	Berk Hess	merge with master	blob \| commitdiff \| raw \| diff to current
2009-12-09	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-05	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-02	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-11-30	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-30	Erik Lindahl	Inital 2D PME decomposition changes	blob \| commitdiff \| raw \| diff to current
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-27	Roland Schulz	C++ fixes part2; extern C fixes in header files a*...	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-07	Roland Schulz	renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-08-19	Sander Pronk	removed *s files, improved cmake/configure thread detection	blob \| commitdiff \| raw \| diff to current
2009-08-19	Sander Pronk	Added full thread_mpi library, it may even compile...	blob \| commitdiff \| raw \| diff to current
2009-07-14	Berk Hess	added mdp parameters nstcalcenergy and rlistlong and...	blob \| commitdiff \| raw \| diff to current
2009-06-22	Berk Hess	implemented resetting of all counters and removed the...	blob \| commitdiff \| raw \| diff to current
2009-06-18	Sander Pronk	Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...	blob \| commitdiff \| raw \| diff to current
2009-06-18	Berk Hess	removed static variables and rearranged some data struc...	blob \| commitdiff \| raw \| diff to current
2009-06-17	Sander Pronk	Merge branch 'thread_mpi'	blob \| commitdiff \| raw \| diff to current
2009-06-17	Sander Pronk	intial commit of thread_mpi (compiles, but does not...	blob \| commitdiff \| raw \| diff to current
2009-06-15	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-06-15	Berk Hess	changed the global cginfo array to an array per molecul...	blob \| commitdiff \| raw \| diff to current
2009-06-12	Berk Hess	implemented a low memory usage global to local atom...	blob \| commitdiff \| raw \| diff to current
2009-06-04	Erik Lindahl	Removed Id tags from master branch since they will...	blob \| commitdiff \| raw \| diff to current
2009-06-03	lindahl	Fixed warnings when GNU C++ 4.3 is used.	blob \| commitdiff \| raw \| diff to current
2009-06-03	hess	updated for C++ compilation	blob \| commitdiff \| raw \| diff to current
2009-06-01	hess	implemented the PP PME communication for 2D PME	blob \| commitdiff \| raw \| diff to current
2009-05-18	hess	implemented vacuum simulations with DD	blob \| commitdiff \| raw \| diff to current
2009-04-21	lindahl	Parallel domain decomposition support for Generalized...	blob \| commitdiff \| raw \| diff to current
2009-04-09	hess	replaced the global buf vector by local vectors	blob \| commitdiff \| raw \| diff to current
2009-04-08	hess	replaced the word zone by cell for domain decomposition...	blob \| commitdiff \| raw \| diff to current
2009-03-24	rschulz	write_dd_pdb if missing interactions	blob \| commitdiff \| raw \| diff to current
2009-02-02	hess	changed most step count variables from int to gmx_step_t	blob \| commitdiff \| raw \| diff to current
2008-11-22	hess	added interaction type and atoms prints to the maximum...	blob \| commitdiff \| raw \| diff to current
2008-11-22	hess	added interaction type and atoms prints to the maximum...	blob \| commitdiff \| raw \| diff to current
2008-11-13	hess	implemented routines to communicate a real for each...	blob \| commitdiff \| raw \| diff to current
2008-08-27	lindahl	Added copyright headers to domdec header files.	blob \| commitdiff \| raw \| diff to current
2008-08-25	hess	implemented automatic dynamic load balancing option	blob \| commitdiff \| raw \| diff to current
2008-08-22	hess	implemented automated DD bonded distance cut-off (...	blob \| commitdiff \| raw \| diff to current
2008-08-21	hess	implemented special bonded atom communication when...	blob \| commitdiff \| raw \| diff to current
2008-08-12	hess	introced a new structure for the local topology in...	blob \| commitdiff \| raw \| diff to current
2008-08-05	hess	t_topology is now partially replaced by gmx_mtop_t...	blob \| commitdiff \| raw \| diff to current
2008-07-28	hess	removed the global indices for the lincs code, now...	blob \| commitdiff \| raw \| diff to current
2008-07-21	hess	implemented mpi_scatterv and mpi_gatherv for coordinate...	blob \| commitdiff \| raw \| diff to current
2008-06-12	hess	changed atom number prints in bonded interactions to...	blob \| commitdiff \| raw \| diff to current
2008-06-06	hess	partial implementation for 2D PME decomposition and...	blob \| commitdiff \| raw \| diff to current
2008-03-18	hess	The PME grid is now automatically enlarged when it...	blob \| commitdiff \| raw \| diff to current
2008-03-04	hess	added -ddbc option to control the check for all bonded...	blob \| commitdiff \| raw \| diff to current
2008-02-28	hess	fixed bug with DD and energy minimization	blob \| commitdiff \| raw \| diff to current
2008-02-20	hess	added a proper ddp_count state indicator for the cg...	blob \| commitdiff \| raw \| diff to current
2008-02-14	hess	added mdrun option -dds to set the scaling margin for dlb	blob \| commitdiff \| raw \| diff to current
2008-02-01	hess	made SHAKE within charge groups work with domain decomp...	blob \| commitdiff \| raw \| diff to current
2008-01-29	hess	distances for two body bonded interactions can now...	blob \| commitdiff \| raw \| diff to current
2008-01-29	hess	fixed several bugs which could lead to missing bonded...	blob \| commitdiff \| raw \| diff to current
2008-01-28	hess	moved sim_nodeid from gmx_domdec_t to commrec_t and...	blob \| commitdiff \| raw \| diff to current
2008-01-24	hess	implemented automated LINCS distance limit for the...	blob \| commitdiff \| raw \| diff to current
2008-01-17	hess	implemented automated DD grid and PME node selection	blob \| commitdiff \| raw \| diff to current
2008-01-08	hess	implemented domain decomposition for steep and cg	blob \| commitdiff \| raw \| diff to current
2007-12-21	hess	added DD load balancing analysis	blob \| commitdiff \| raw \| diff to current
2007-11-18	hess	moved all the PME-PP communication to pme_pp.c	blob \| commitdiff \| raw \| diff to current
2007-11-16	hess	made the shell code compatible with domain decompositio...	blob \| commitdiff \| raw \| diff to current
2007-10-29	hess	implemented correct determination of the PME coordinate...	blob \| commitdiff \| raw \| diff to current
2007-10-15	hess	implemented multi-pulse DD communication and fixed...	blob \| commitdiff \| raw \| diff to current
2007-08-10	hess	added an extra LINCS expansion for only the constraint...	blob \| commitdiff \| raw \| diff to current
2007-07-13	hess	mdrun now only writes a log file on the master node...	blob \| commitdiff \| raw \| diff to current
2007-05-18	hess	replaced fr->solvent_opt by fr->cginfo, which also...	blob \| commitdiff \| raw \| diff to current
2007-05-04	hess	added check for npme > ndd and modified several DD...	blob \| commitdiff \| raw \| diff to current
2007-04-18	hess	mdrun now print the conserved energy for NVT Nose-Hoove...	blob \| commitdiff \| raw \| diff to current
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