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

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

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

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	Replaced all occurences of str(n)casecmp with gmx_str...	blob \| commitdiff \| raw \| diff to current
2010-08-04	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-04	Berk Hess	fixed g_energy manual formatting issues	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
2010-07-23	Berk Hess	fixed (rare) incorrect residue numbers when using gmx_m...	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	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
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	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
2010-06-02	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-02	David van der Spoel	Fixed bug 349. The file made with the -vis option has...	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	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
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-22	Berk Hess	added slope print for g_energy -sum	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 -aver to print the average iso the sum	blob \| commitdiff \| raw \| diff to current
2010-02-08	Berk Hess	fixed drift in g_energy, broke a few commits ago	blob \| commitdiff \| raw \| diff to current
2010-02-08	Berk Hess	introduced STEPSTRSIZE for printing gmx_large_int_t	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
2010-02-05	Berk Hess	cleaned up the g_energy energy storage and added error...	blob \| commitdiff \| raw \| diff to current
2010-02-05	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-04	Berk Hess	added unit for g_energy -sum	blob \| commitdiff \| raw \| diff to current
2010-02-01	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	David van der Spoel	Added -nconstr option to g_energy in order to get corre...	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	Fixed comment for g_energy -h as well.	blob \| commitdiff \| raw \| diff to current
2010-01-21	David van der Spoel	Fixed erroneous implementation of calculation of Cp...	blob \| commitdiff \| raw \| diff to current
2010-01-21	David van der Spoel	Fixed help output in g_energy such that the fluctuation...	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	David van der Spoel	Added proper fluctuation output to g_energy. Now we...	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
2009-12-06	Erik Lindahl	Merge branch 'release-4-0-patches' of git.gromacs.org...	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
2009-12-01	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
2009-11-27	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-11-10	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-10	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-09	Berk	Merge branch 'release-4-0-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2009-11-09	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-08	Peter Kasson	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-06	Teemu Murtola	Better g_energy -nmol behavior (bug #365).	blob \| commitdiff \| raw \| diff to current
2009-11-06	Teemu Murtola	Better g_energy -nmol behavior (bug #365).	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
2009-07-15	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-07-15	Berk Hess	updated the energy file format to store averages over...	blob \| commitdiff \| raw \| diff to current
2009-07-06	Sander Pronk	more const-correctness fixes	blob \| commitdiff \| raw \| diff to current
2009-07-04	Sander Pronk	file names now const correct; builds in C++	blob \| commitdiff \| raw \| diff to current
2009-07-01	Sander Pronk	enxio is thread safe (and quite possibly works)	blob \| commitdiff \| raw \| diff to current
2009-06-30	Sander Pronk	added output_env_t type for querying time scales, and...	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	Restored C++ "fixes" that caused warnings for C.	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	teemu	Fixed many warnings about const issues in C++.	blob \| commitdiff \| raw \| diff to current
2009-06-03	lindahl	More fixes for warnings after enabling Gromacs compilat...	blob \| commitdiff \| raw \| diff to current
2009-03-07	lindahl	Fixed incorrect calls to lsq_y_ax_b functions	blob \| commitdiff \| raw \| diff to current
2009-03-07	lindahl	Fixed windows portability issues, and renamed some...	blob \| commitdiff \| raw \| diff to current
2009-02-04	hess	energy file format change: energy averages are now...	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
2008-12-03	hess	added double sqr version: dsqr	blob \| commitdiff \| raw \| diff to current
2008-12-03	hess	added double sqr version: dsqr	blob \| commitdiff \| raw \| diff to current
2008-08-27	hess	added averaging for energy terms without exact averages...	blob \| commitdiff \| raw \| diff to current
2008-08-20	hess	fixed compiler warnings	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
2008-08-12	hess	made the energy term print more compact and improved...	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
2008-06-17	hess	implemented checkpointing for distance and orientation...	blob \| commitdiff \| raw \| diff to current
2008-04-17	hess	added option -uni to skip non-uniformly spaced frames	blob \| commitdiff \| raw \| diff to current
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