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

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

[alexxy/gromacs.git] / src / tools / gmx_hbond.c

2012-11-20	David van der Spoel	Fixes bug in g_hbond that makes it produce fatal error.	blob \| commitdiff \| raw
2012-07-09	Christoph Junghans	Merge "Fixed bug in sfactor.c that makes g_rdf -sq...	blob \| commitdiff \| raw \| diff to current
2012-07-06	Erik Marklund	Bugfix for the segfault that occurs with g_hbond -hbm...	blob \| commitdiff \| raw \| diff to current
2012-06-20	Erik Marklund	Correct normalization for HB-contact c-correlation.	blob \| commitdiff \| raw \| diff to current
2012-06-18	Christoph Junghans	Merge "Fix g_lie counting last frame twice" into releas...	blob \| commitdiff \| raw \| diff to current
2012-06-15	Erik Marklund	Makes g_hbond -contact work	blob \| commitdiff \| raw \| diff to current
2011-05-23	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-05-10	Erik Marklund	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-05-10	Erik Marklund	Fixed long standing bug where the merging resulted...	blob \| commitdiff \| raw \| diff to current
2011-05-06	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-05-02	Erik Marklund	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-05-02	Erik Marklund	removed parentheses that caused problem with openmp	blob \| commitdiff \| raw \| diff to current
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2011-03-23	Justin Lemkul	Tons of small fixes to documentation.	blob \| commitdiff \| raw \| diff to current
2011-03-21	Erik Marklund	Fixed warning arising from gmx_hbond.c	blob \| commitdiff \| raw \| diff to current
2011-02-16	Carsten Kutzner	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-02-16	Justin Lemkul	Add -tu option to g_hbond.	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
2011-01-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-01-23	Mark Abraham	Improved consistency of text style usage	blob \| commitdiff \| raw \| diff to current
2011-01-19	Justin Lemkul	Tons of tiny changes to documentation. Manual looks...	blob \| commitdiff \| raw \| diff to current
2010-10-29	Szilard Pall	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-29	Carsten Kutzner	Fixed segv in gmx_hbond	blob \| commitdiff \| raw \| diff to current
2010-09-07	Szilard Pall	fixed warnings caused by some uninitialized variables	blob \| commitdiff \| raw \| diff to current
2010-09-01	Erik Lindahl	Removed lots of unnecessary messages to stdout from...	blob \| commitdiff \| raw \| diff to current
2010-08-31	Erik Lindahl	Added check for <2 frames when autocorrelation is reque...	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
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Replaced all occurences of str(n)casecmp with gmx_str...	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	David van der Spoel	Fixed bug 417.	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
2010-08-17	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Erik Lindahl	Deprecated -ins option to g_hbond since nobody seems...	blob \| commitdiff \| raw \| diff to current
2010-07-24	Sander Pronk	New .edr file format: now supports blocks of arbitrary...	blob \| commitdiff \| raw \| diff to current
2010-07-13	David van der Spoel	Fixed bug 466 by commenting out the offending lines...	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	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
2010-06-28	Teemu Murtola	Fixed some easy-to-fix C++ warnings.	blob \| commitdiff \| raw \| diff to current
2010-06-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-23	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-22	Sander Pronk	Most (if not all) file operations are now thread safe.	blob \| commitdiff \| raw \| diff to current
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-18	Erik Marklund	Commented out the ballistic stuff and the fitting 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
2010-06-17	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	kasson	Merge branch 'mymaster'	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Added more fixes in comment texts, generously provided...	blob \| commitdiff \| raw \| diff to current
2010-06-12	David van der Spoel	Fixed a lot of spelling errors in comments and document...	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
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-08	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Patched bug334 by explicitly avoiding going through...	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Added check for (hb != NULL) when calling analyse_donor...	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-07	Erik Marklund	Commented out conditional in hbac-code w geminate recom...	blob \| commitdiff \| raw \| diff to current
2010-06-04	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Erik Marklund	Found a bug in isInterchangable() and fixed it.	blob \| commitdiff \| raw \| diff to current
2010-06-03	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-03	Sander Pronk	Bug fixes - now compiles on Windows.	blob \| commitdiff \| raw \| diff to current
2010-06-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-01	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-01	Erik Marklund	Fixed openMP issue that stopped compilation.	blob \| commitdiff \| raw \| diff to current
2010-06-01	Erik Marklund	Changed a few function calls because of changes in...	blob \| commitdiff \| raw \| diff to current
2010-06-01	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-01	Sander Pronk	Fixed warnings, including some that were almost certain...	blob \| commitdiff \| raw \| diff to current
2010-05-28	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-28	Erik Marklund	Parallel vs. sequentiual code: I get binary identica...	blob \| commitdiff \| raw \| diff to current
2010-05-27	Erik Marklund	Compiles and runs with parallel grid loop. The previous...	blob \| commitdiff \| raw \| diff to current
2010-05-26	Erik Marklund	Still testing	blob \| commitdiff \| raw \| diff to current
2010-05-26	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-25	Erik Marklund	Now it compiles, but needs extensive testing. That...	blob \| commitdiff \| raw \| diff to current
2010-05-25	Erik Marklund	More implementation of frame loop parallelism	blob \| commitdiff \| raw \| diff to current
2010-05-25	Erik Marklund	Begin to implement a parallel grid loop based on my...	blob \| commitdiff \| raw \| diff to current
2010-05-21	David van der Spoel	Fixed compilation warnings and removed spurious C+...	blob \| commitdiff \| raw \| diff to current
2010-05-20	Teemu Murtola	Removed compiler warnings.	blob \| commitdiff \| raw \| diff to current
2010-05-19	Teemu Murtola	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-18	Erik Marklund	Turned off openMP by default. This is how it should...	blob \| commitdiff \| raw \| diff to current
2010-05-18	Erik Marklund	Merge branch 'master' into hbond	blob \| commitdiff \| raw \| diff to current
2010-05-18	Erik Marklund	Slight adjustments to do_hbac()	blob \| commitdiff \| raw \| diff to current
2010-05-18	David van der Spoel	Added a cool quote, and removed two comma's in openmp...	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	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Tested g_hbond with and without OpenMp. All seems fine...	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Prettyfied output slightly and made this warning regard...	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Merge branch 'master' into hbond	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Merge branch 'master' into hbond	blob \| commitdiff \| raw \| diff to current
2010-05-11	Erik Marklund	Merged and test-compiled very much updated gmx_hbond.c	blob \| commitdiff \| raw \| diff to current
2010-05-10	Erik Marklund	Merged in the code for reversible geminate recombinatio...	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
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