Public Git Hosting - gromacs.git/search

2015-08-28	David van der Spoel	Added additional constructor to StringStream class...	commit \| commitdiff \| tree
2015-08-03	David van der Spoel	Made output from dumping neightborlists easier to read.	commit \| commitdiff \| tree
2015-07-31	David van der Spoel	Change initial parameters for testing expfit.	commit \| commitdiff \| tree
2015-07-29	David van der Spoel	Code for checking xvg files in testutils.	commit \| commitdiff \| tree
2015-04-17	David van der Spoel	Updated exponential fitting to make it robust.	commit \| commitdiff \| tree
2015-04-09	David van der Spoel	Clarified comments for time-dependent electric fields.	commit \| commitdiff \| tree
2015-04-08	David van der Spoel	Fixed incorrect output of gb_algorith as sa_algorithm.	commit \| commitdiff \| tree
2015-03-02	David van der Spoel	Updated documentation for electric fields.	commit \| commitdiff \| tree
2014-12-13	David van der Spoel	Four new quotes from around the world.	commit \| commitdiff \| tree
2014-11-28	David van der Spoel	Fixes recently introduced bug in gmx analyze.	commit \| commitdiff \| tree
2014-11-24	David van der Spoel	Added warnings for ewald-geometry and surface-epsilon	commit \| commitdiff \| tree
2014-10-28	David van der Spoel	Even more refreshing quotes.	commit \| commitdiff \| tree
2014-10-14	David van der Spoel	Reorganizing analysis of correlation functions.	commit \| commitdiff \| tree
2014-09-23	David van der Spoel	Fixes potential bug in neighborsearching.	commit \| commitdiff \| tree
2014-09-17	David van der Spoel	Merge release-5-0 into master	commit \| commitdiff \| tree
2014-09-10	David van der Spoel	Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.	commit \| commitdiff \| tree
2014-08-30	David van der Spoel	Fixes issue with vsiten and verlet buffers.	commit \| commitdiff \| tree
2014-07-05	David van der Spoel	Fixed inconsistency in blocka handling.	commit \| commitdiff \| tree
2014-06-29	David van der Spoel	Fixes #1532, SEGV in g_current.	commit \| commitdiff \| tree
2014-06-25	David van der Spoel	Added check for domain decomposition and shells.	commit \| commitdiff \| tree
2014-06-24	David van der Spoel	Added check in grompp for shells and inputrec issues.	commit \| commitdiff \| tree
2014-06-22	David van der Spoel	Implemented fatal error for nstcalcenergy!=1 with shells.	commit \| commitdiff \| tree
2014-06-13	David van der Spoel	Fix memory-usage error in g_chi	commit \| commitdiff \| tree
2014-06-11	David van der Spoel	Fixes bug where -e and -dt flags did not work anymore.	commit \| commitdiff \| tree
2014-06-07	David van der Spoel	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-06-07	David van der Spoel	Merge release-5-0 into master	commit \| commitdiff \| tree
2014-06-02	David van der Spoel	Fixed wrong journal reference in manual	commit \| commitdiff \| tree
2014-05-31	David van der Spoel	Permit trjconv to read and write velocities with TNG...	commit \| commitdiff \| tree
2014-05-16	David van der Spoel	Fixes a complicated bug in g_anaeig.	commit \| commitdiff \| tree
2014-05-15	David van der Spoel	Added cmake profiling support	commit \| commitdiff \| tree
2014-04-02	David van der Spoel	Removed possibility of compiling with GSL.	commit \| commitdiff \| tree
2014-03-31	David van der Spoel	Fixed compilation issue in fgrid.cpp due to int/enum	commit \| commitdiff \| tree
2014-03-06	David van der Spoel	Six new quotes from classic literature.	commit \| commitdiff \| tree
2014-02-11	David van der Spoel	Fixed another vmdio issue.	commit \| commitdiff \| tree
2014-02-10	David van der Spoel	Moved conditional cmake code for vmdio.	commit \| commitdiff \| tree
2014-01-28	David van der Spoel	Moved random number generator code to separate dir.	commit \| commitdiff \| tree
2014-01-18	David van der Spoel	This patch moves the statistics library to its own...	commit \| commitdiff \| tree
2014-01-17	David van der Spoel	This patch moves preprocessing headers to gmxpreprocess	commit \| commitdiff \| tree
2014-01-15	David van der Spoel	This patch moves the nrama.[ch] to the gmxana dir.	commit \| commitdiff \| tree
2014-01-13	David van der Spoel	Cleaned up list of GROMACS authors	commit \| commitdiff \| tree
2014-01-09	David van der Spoel	Fixed precision in thermal expansion coefficient calc.	commit \| commitdiff \| tree
2013-12-23	David van der Spoel	Fixed compilation issue due to gcc4.8	commit \| commitdiff \| tree
2013-12-21	David van der Spoel	More Nobel quotes and others	commit \| commitdiff \| tree
2013-11-07	David van der Spoel	12 new quotes	commit \| commitdiff \| tree
2013-09-30	David van der Spoel	Change name of gmxdump to dump and gmxcheck to check	commit \| commitdiff \| tree
2013-09-29	David van der Spoel	Fixes bug in processing virtual_sitesn in grompp.	commit \| commitdiff \| tree
2013-09-26	David van der Spoel	Made MW of the Vsite particle type.	commit \| commitdiff \| tree
2013-09-21	David van der Spoel	Moved ngmx to C++, renamed it to view.	commit \| commitdiff \| tree
2013-08-30	David van der Spoel	Updated g_cluster	commit \| commitdiff \| tree
2013-07-24	David van der Spoel	Fixes #1312 uninitialized error in g_enemat.	commit \| commitdiff \| tree
2013-07-17	David van der Spoel	Added citation to free volume paper.	commit \| commitdiff \| tree
2013-06-14	David van der Spoel	New analysis tool to compute the free volume and total...	commit \| commitdiff \| tree
2013-05-30	David van der Spoel	Fixes #1194 error reading 4.5.5 tpr files with dihres	commit \| commitdiff \| tree
2013-05-16	David van der Spoel	Fixed two compilation issues.	commit \| commitdiff \| tree
2013-05-02	David van der Spoel	Fixes #1238 g_hydorder does not call set_pbc.	commit \| commitdiff \| tree
2013-05-01	David van der Spoel	Merge "Updated source for Van der Waals radii."	commit \| commitdiff \| tree
2013-04-25	David van der Spoel	Updated source for Van der Waals radii.	commit \| commitdiff \| tree
2013-03-07	David van der Spoel	Fixes #1183 PBC bug in g_mindist	commit \| commitdiff \| tree
2013-02-13	David van der Spoel	Plain text quotes.	commit \| commitdiff \| tree
2013-01-11	David van der Spoel	Fixes #994 confusion in atomprop.	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
2012-11-12	David van der Spoel	Fixes #1020 options in g_enemat	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
2012-09-15	David van der Spoel	Merge "Adapted NMR related data to new pdb format....	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
2012-06-16	David van der Spoel	Fixes #882 - looping bug in trxio.c	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
2011-05-23	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
2011-04-10	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	New entry	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
2010-12-23	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
2010-11-28	David van der Spoel	Merge branch 'release-4-5-patches'	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom