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

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2013-05-16	David van der Spoel	Fixed two compilation issues.	commit \| commitdiff \| tree
2013-02-13	David van der Spoel	Plain text quotes.	commit \| commitdiff \| tree
2012-11-26	David van der Spoel	Fixes #1035 NaN in g_cluster output.	commit \| commitdiff \| tree
2012-11-20	David van der Spoel	Fixes bug in g_hbond that makes it produce fatal error.	commit \| commitdiff \| tree
2012-10-21	David van der Spoel	Fixed Bug #593 about memory hole in trjcat.	commit \| commitdiff \| tree
2012-10-04	David van der Spoel	Set return value to FALSE (0) in estimate_dt in libxdrf.c	commit \| commitdiff \| tree
2012-09-07	David van der Spoel	Adapted NMR related data to new pdb format.	commit \| commitdiff \| tree
2012-09-04	David van der Spoel	Made tutorial slightly less confusing.	commit \| commitdiff \| tree
2012-08-16	David van der Spoel	Optional computation of fluct. props in g_energy. Fixes...	commit \| commitdiff \| tree
2012-06-30	David van der Spoel	Fixed bug in free energy calculation for Morse potentials	commit \| commitdiff \| tree
2012-06-21	David van der Spoel	Fixes #961 - Shake reports wrong error	commit \| commitdiff \| tree
2012-03-17	David van der Spoel	Removed qhop files from this branch.	commit \| commitdiff \| tree
2012-03-10	David van der Spoel	Vibration spectra from velocity ACF or Normal modes.	commit \| commitdiff \| tree
2012-01-31	David van der Spoel	Changed order of parameters in top file	commit \| commitdiff \| tree
2012-01-25	David van der Spoel	Added two new bonded functions.	commit \| commitdiff \| tree
2012-01-17	David van der Spoel	Replace stderr by stdout in editconf terminal output...	commit \| commitdiff \| tree
2012-01-04	David van der Spoel	Introduced fatal error in grompp for incorrect use...	commit \| commitdiff \| tree
2011-09-21	David van der Spoel	Commented out part of this new program that was not...	commit \| commitdiff \| tree
2011-09-21	David van der Spoel	Fixed documentation issue described in redmine issue...	commit \| commitdiff \| tree
2011-09-21	David van der Spoel	Fixed documentation issue described in redmine issue...	commit \| commitdiff \| tree
2011-09-19	David van der Spoel	Fixed compilation issues	commit \| commitdiff \| tree
2011-09-19	David van der Spoel	Resolved gerrit issue https://gerrit.gromacs.org/#change,126	commit \| commitdiff \| tree
2011-09-13	David van der Spoel	Added warning line.	commit \| commitdiff \| tree
2011-07-20	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-07-20	David van der Spoel	Added initialization of arrays after srenew call.	commit \| commitdiff \| tree
2011-07-20	David van der Spoel	Added initialization of arrays after srenew call.	commit \| commitdiff \| tree
2011-07-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2011-07-02	David van der Spoel	Compilation fixes in gmx_density.c and histogram.cpp	commit \| commitdiff \| tree
2011-07-01	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-06-10	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-06-10	David van der Spoel	Added g_dos target.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Further patches to fluctuation code and density of...	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Added computation of A and U.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Updated, made default tolerance for bisector more stringent...	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Fixed weight functions and added -dump option (hidden...	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Updated. Fixed computation of frequency.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Updated the eqn for computing Delta. Now get roughly...	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Multiplied the DoS by the timestep (between frames).	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Updated. Now computes diffusion from the VACF.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Fixed x-axis to be in reciprocal cm.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Further updates. Still not perfect.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Added stuff to compute cP and S. Not complete yet.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Updated to compute the fluidicity. Added refs for citation.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Updated	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	New	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Further patches to fluctuation code and density of...	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Added quote.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Further patches to fluctuation code and density of...	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Added quote.	commit \| commitdiff \| tree
2011-05-31	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-05-23	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-05-23	David van der Spoel	Re-implemented the fluctuation analysis, based on Enthalpy...	commit \| commitdiff \| tree
2011-05-23	David van der Spoel	Re-implemented the fluctuation analysis, based on Enthalpy...	commit \| commitdiff \| tree
2011-05-07	David van der Spoel	Added computation of A and U.	commit \| commitdiff \| tree
2011-05-06	David van der Spoel	Updated, made default tolerance for bisector more stringent...	commit \| commitdiff \| tree
2011-05-06	David van der Spoel	Fixed weight functions and added -dump option (hidden...	commit \| commitdiff \| tree
2011-05-06	David van der Spoel	Updated. Fixed computation of frequency.	commit \| commitdiff \| tree
2011-05-06	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-05-02	David van der Spoel	Updated the eqn for computing Delta. Now get roughly...	commit \| commitdiff \| tree
2011-05-01	David van der Spoel	Multiplied the DoS by the timestep (between frames).	commit \| commitdiff \| tree
2011-04-26	David van der Spoel	Updated. Now computes diffusion from the VACF.	commit \| commitdiff \| tree
2011-04-23	David van der Spoel	Fixed x-axis to be in reciprocal cm.	commit \| commitdiff \| tree
2011-04-23	David van der Spoel	Further updates. Still not perfect.	commit \| commitdiff \| tree
2011-04-22	David van der Spoel	Added stuff to compute cP and S. Not complete yet.	commit \| commitdiff \| tree
2011-04-21	David van der Spoel	Updated to compute the fluidicity. Added refs for citation.	commit \| commitdiff \| tree
2011-04-21	David van der Spoel	First version of a Density of States analysis tool.	commit \| commitdiff \| tree
2011-04-10	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2011-04-10	David van der Spoel	Added g_hydorder.1 man page.	commit \| commitdiff \| tree
2011-04-06	David van der Spoel	Fixed header for gmx_conect_init	commit \| commitdiff \| tree
2011-04-06	David van der Spoel	Fixed header for gmx_conect_init	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	Removed superfluous file.	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	Made new programs compile with gcc -pedantic.	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	New entry	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	Added 1 analysis tool manual.	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	Latest fixes from Bjorn Steen Saethre	commit \| commitdiff \| tree
2011-03-24	David van der Spoel	Added Bjorn's code, implemented running average filtering.	commit \| commitdiff \| tree
2011-03-05	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-03-05	David van der Spoel	Fixed SEGV in eneconv when using the -e flag.	commit \| commitdiff \| tree
2011-01-30	David van der Spoel	Fixed more PBC and indexing stuff.	commit \| commitdiff \| tree
2011-01-30	David van der Spoel	Fixed typo.	commit \| commitdiff \| tree
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	commit \| commitdiff \| tree
2011-01-29	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-01-29	David van der Spoel	Added code in g_nmeig to compute the quantum corrections...	commit \| commitdiff \| tree
2011-01-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2011-01-22	David van der Spoel	Fixed bug 678 which was due to calling gmx_fatal without...	commit \| commitdiff \| tree
2011-01-22	David van der Spoel	Fixed bug 678 which was due to calling gmx_fatal without...	commit \| commitdiff \| tree
2010-12-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree
2010-12-25	David van der Spoel	Added warning in g_dipoles	commit \| commitdiff \| tree
2010-12-23	David van der Spoel	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree
2010-12-23	David van der Spoel	Fixed bug in statistics which did not allow fitting...	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Added 1 quote.	commit \| commitdiff \| tree
2010-12-09	David van der Spoel	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree
2010-12-09	David van der Spoel	Added fatal error for when people use energy files...	commit \| commitdiff \| tree
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