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

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

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

2011-01-19	Justin Lemkul	Tons of tiny changes to documentation. Manual looks...	blob \| commitdiff \| raw
2010-10-28	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-20	Sander Pronk	file reading error messages in g_bar less confusing.	blob \| commitdiff \| raw \| diff to current
2010-09-17	Sander Pronk	Checkpoints backward-compatible + more consistency...	blob \| commitdiff \| raw \| diff to current
2010-09-17	Sander Pronk	Fixed checkpointing bug with g_bar energies	blob \| commitdiff \| raw \| diff to current
2010-09-16	Pär Bjelkmar	Merge branch 'release-4-5-patches' of git://git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-09-16	Sander Pronk	Improved performance of g_bar while reading .edr files...	blob \| commitdiff \| raw \| diff to current
2010-09-07	Sander Pronk	Fixed segfault in g_bar with unequally distributed...	blob \| commitdiff \| raw \| diff to current
2010-09-06	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-09-06	Sander Pronk	Fixed reading of older .xvg file formats in g_bar	blob \| commitdiff \| raw \| diff to current
2010-09-06	Sander Pronk	Fixed misinterpretation of -b and -e in g_bar.	blob \| commitdiff \| raw \| diff to current
2010-08-29	Sander Pronk	Made the dhdl_derivatives option do something when...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Sander Pronk	Fixed begin and end times in g_bar.	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Sander Pronk	More documentation for g_bar.	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Sander Pronk	Some documentation changes.	blob \| commitdiff \| raw \| diff to current
2010-08-26	Sander Pronk	gmx_bar now works with derivative histogram sets.	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Sander Pronk	Free energy histogram bug fixes.	blob \| commitdiff \| raw \| diff to current
2010-08-26	Sander Pronk	g_bar reads dhdl.xvg files without derivatives.	blob \| commitdiff \| raw \| diff to current
2010-08-26	Sander Pronk	Free energy writing to ener.edr and four new options...	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
2010-08-08	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-06	Sander Pronk	BAR calculations can now store energy histograms in...	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
2010-04-17	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-08	Pär Bjelkmar	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-06	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-06	Berk Hess	added lambda to the dhdl.xvg subtitle	blob \| commitdiff \| raw \| diff to current
2010-04-06	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-06	Szilard Pall	now g_bar looks for lambda only in the last directory...	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
2010-04-04	Szilard Pall	Fixed g_bar bug in lambda value parsing from path.	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
2010-03-07	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-25	Berk Hess	another precision correction for g_bar	blob \| commitdiff \| raw \| diff to current
2010-02-25	Berk Hess	corrected the precision of the g_bar output	blob \| commitdiff \| raw \| diff to current
2010-02-22	Berk Hess	g_bar now takes correlations along lambda into account...	blob \| commitdiff \| raw \| diff to current
2010-02-19	Berk	fixed another sign error in the stdev of g_bar	blob \| commitdiff \| raw \| diff to current
2010-02-17	Sander Pronk	g_bar prints temperature.	blob \| commitdiff \| raw \| diff to current
2010-02-12	Sander Pronk	Fixed deadlocks in gmx_fatal: overall structure still...	blob \| commitdiff \| raw \| diff to current
2010-02-12	Sander Pronk	Fixed sign error in g_bar, and new comes with even...	blob \| commitdiff \| raw \| diff to current
2010-02-12	Berk Hess	fixed temperature issue introduced in the last commit	blob \| commitdiff \| raw \| diff to current
2010-02-11	Sander Pronk	g_bar now prints detailed results about phase space...	blob \| commitdiff \| raw \| diff to current
2010-02-11	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-11	Sander Pronk	Fixed potential rounding error in gmx_bar variance...	blob \| commitdiff \| raw \| diff to current
2010-02-10	Berk Hess	made g_bar read the temperature for the dhdl.xvg files	blob \| commitdiff \| raw \| diff to current
2010-02-09	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-08	Berk Hess	changed g_energy and g_bar error estimation to average...	blob \| commitdiff \| raw \| diff to current
2010-01-26	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-25	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-25	Sander Pronk	Fixed output_env member functions (names, support for...	blob \| commitdiff \| raw \| diff to current
2010-01-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-21	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-21	Berk Hess	made g_bar use a tolerance for lambda value comparison	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
2010-01-05	Berk Hess	add extra output file to g_bar	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
2009-12-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-09	kasson	Merge branch '2dpme' of git.gromacs.org:gromacs into...	blob \| commitdiff \| raw \| diff to current
2009-12-09	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-07	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	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
2009-12-03	Sander Pronk	Fixed more g_bar output issues.	blob \| commitdiff \| raw \| diff to current
2009-12-03	Sander Pronk	fixed indexing error in g_bar introduced by previous...	blob \| commitdiff \| raw \| diff to current
2009-12-02	Berk Hess	fixed incorrect g_bar check for missing lambda values	blob \| commitdiff \| raw \| diff to current
2009-12-02	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-01	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-30	Roland Schulz	close all files with ffclose which are opened with...	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	Sander Pronk	Improved formatting in output of g_bar.	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	More C++ fixes (const char), some formating	blob \| commitdiff \| raw \| diff to current
2009-11-27	Sander Pronk	More C++ fixes: #include "gmx_ana.h" was missing in all	blob \| commitdiff \| raw \| diff to current
2009-11-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-10-02	Sander Pronk	Thread conditional variables now work on Windows 2000...	blob \| commitdiff \| raw \| diff to current
2009-09-30	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-30	Sander Pronk	Added variance estimate and phase space overlap measure...	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
2009-08-30	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
2009-07-01	Sander Pronk	now compiles with configure	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
2009-04-08	hess	improved the error esimation slightly	blob \| commitdiff \| raw \| diff to current
2009-03-30	hess	renamed dgdl to dhdl	blob \| commitdiff \| raw \| diff to current
2009-03-27	hess	implemented foreign lambda free energy difference code	blob \| commitdiff \| raw \| diff to current

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