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

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

[alexxy/gromacs.git] / src / mdlib / clincs.c

2014-03-23	Berk Hess	Fixed bug in parallel v/f constraining	blob \| commitdiff \| raw
2013-04-19	Teemu Murtola	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2013-03-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "added missing cleanup of some nbnxn_cuda data...	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Code beautification with uncrustify	blob \| commitdiff \| raw \| diff to current
2013-01-18	Mark Abraham	Fixing copyright issues and code contributors	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Essential dynamics: fixed restarts when ED group...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "Small fix for g_tune_pme" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-20	Christoph Junghans	Merge "Fixed AVX256 double-precision kernels for gcc...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Berk Hess	fixed recent bugs in LINCS for derivatives	blob \| commitdiff \| raw \| diff to current
2012-12-19	Mark Abraham	Merge "Remove the rest of the fortran/power6 accelerati...	blob \| commitdiff \| raw \| diff to current
2012-12-19	Mark Abraham	Merge "Always build template program" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-19	Roland Schulz	Merge "Fix license text printed by programs." into...	blob \| commitdiff \| raw \| diff to current
2012-12-18	Christoph Junghans	Merge "Fixes redmine issue #1071" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-17	Szilárd Páll	Merge "reduced PLINCS communication with H-bond constra...	blob \| commitdiff \| raw \| diff to current
2012-12-11	Berk Hess	reduced PLINCS communication with H-bond constraints	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-19	Roland Schulz	Merge "[tools] Allow g_dist to use default index group...	blob \| commitdiff \| raw \| diff to current
2012-10-19	Kasson	Merge "renamed constraint variables rmdr to vir_r_m_dr...	blob \| commitdiff \| raw \| diff to current
2012-10-19	Roland Schulz	Merge "renamed pme_switch... to pme_loadbal..." into...	blob \| commitdiff \| raw \| diff to current
2012-10-18	Roland Schulz	Merge "Added thread affinity API to thread_mpi." into...	blob \| commitdiff \| raw \| diff to current
2012-10-18	Berk Hess	renamed constraint variables rmdr to vir_r_m_dr	blob \| commitdiff \| raw \| diff to current
2012-10-18	Berk Hess	added OpenMP parallelization to LINCS projection	blob \| commitdiff \| raw \| diff to current
2012-10-17	Kasson	Merge "Make Gromacs compile without C++ compiler" into...	blob \| commitdiff \| raw \| diff to current
2012-10-13	David van der Spoel	Merge "Fixing issues with replica exchange" into releas...	blob \| commitdiff \| raw \| diff to current
2012-10-12	Berk Hess	Merge "Fix illegal barrier in worksharing" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-12	Roland Schulz	Fix illegal barrier in worksharing	blob \| commitdiff \| raw \| diff to current
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw \| diff to current
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-06-01	Christoph Junghans	Merge "Use External BLAS/LAPACK by default" into releas...	blob \| commitdiff \| raw \| diff to current
2012-05-24	Teemu Murtola	Merge "Code cleanup to avoid name collisions" into...	blob \| commitdiff \| raw \| diff to current
2012-05-17	Teemu Murtola	Merge "Fixing more clang warnings" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-16	Roland Schulz	Fixing more clang warnings	blob \| commitdiff \| raw \| diff to current
2012-01-25	Roland Schulz	Merge "Merge release-4-5-patches into release-4-6"...	blob \| commitdiff \| raw \| diff to current
2012-01-19	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-01-15	Christoph Junghans	Merge "Added CMake Toolchain file for BlueGene/P" into...	blob \| commitdiff \| raw \| diff to current
2012-01-10	Mark Abraham	Fixed use of isfinite and _isfinite	blob \| commitdiff \| raw \| diff to current
2011-07-01	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-06-21	Mark Abraham	Expanded LINCS warning text	blob \| commitdiff \| raw \| diff to current
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2010-10-28	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-18	Berk Hess	fixed possible overflow of unused variable in lincs	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	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
2010-01-26	kasson	Check for infinite values in LINCS warnings.	blob \| commitdiff \| raw \| diff to current
2010-01-05	Roland Schulz	Undo Michael's accidental commits with:	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
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-12-19	Michael Shirts	Committing to merge	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	Per Larsson	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-08-26	Erik Lindahl	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-26	Erik Lindahl	Changed invsqrt() to gmx_invsqrt() to accuracy loss...	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
2009-07-10	Erik Lindahl	Fixed PD lincs communication iteration step - now x...	blob \| commitdiff \| raw \| diff to current
2009-07-10	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-09	Erik Lindahl	Support for parallel (node-crossing) constraints with...	blob \| commitdiff \| raw \| diff to current
2009-06-17	Berk Hess	implemented force constraining that work together with...	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	hess	updated for C++ compilation	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
2009-01-20	lindahl	Merged changes from 4.0.3 release into HEAD.	blob \| commitdiff \| raw \| diff to current
2009-01-18	lindahl	Fixed a ton of compiler warnings now generated with...	blob \| commitdiff \| raw \| diff to current
2008-12-01	hess	moved the merging of the F_CONSTRNC ilist into the...	blob \| commitdiff \| raw \| diff to current
2008-09-19	lindahl	Implemented automatic renaming and optional appending...	blob \| commitdiff \| raw \| diff to current
2008-09-16	hess	fixed incorrect constraining causing crashes with DD...	blob \| commitdiff \| raw \| diff to current
2008-08-07	hess	added virial calculation for non-coordinate constraining	blob \| commitdiff \| raw \| diff to current
2008-08-07	hess	added missing include	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
2008-06-12	hess	changed atom number prints in bonded interactions to...	blob \| commitdiff \| raw \| diff to current
2008-04-15	hess	fixed possible nan when a variable was exactly zero	blob \| commitdiff \| raw \| diff to current
2008-04-11	hess	implemented checkpoint files	blob \| commitdiff \| raw \| diff to current
2008-03-11	hess	implemented screw pbc	blob \| commitdiff \| raw \| diff to current
2008-03-07	hess	reorganized the pbc code, there is now an extra pbc_dx...	blob \| commitdiff \| raw \| diff to current
2008-02-02	hess	removed a array from t_block for cgs and mols, renamed...	blob \| commitdiff \| raw \| diff to current
2008-02-01	hess	Added constraint dVdlambda for energy minimization	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
2008-01-11	hess	made two separate sd integrator options	blob \| commitdiff \| raw \| diff to current
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