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

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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
2013-04-16	David van der Spoel	Merge "corrected grompp rvdw charge-group radii check...	commit \| commitdiff \| tree
2013-04-13	David van der Spoel	Merge "added mdrun check for Verlet+perturbed atoms...	commit \| commitdiff \| tree
2013-04-12	David van der Spoel	Merge "Add histogram output for 'gmx gangle'."	commit \| commitdiff \| tree
2013-03-07	David van der Spoel	Fixes #1183 PBC bug in g_mindist	commit \| commitdiff \| tree
2013-02-15	David van der Spoel	Merge "Fixed an initialization issue in gmx_dipoles...	commit \| commitdiff \| tree
2013-02-13	David van der Spoel	Plain text quotes.	commit \| commitdiff \| tree
2013-01-14	David van der Spoel	Merge "Fixing trjconv -sub" into release-4-5-patches	commit \| commitdiff \| tree
2013-01-14	David van der Spoel	Merge "Noting that and why gmxdump -s -sys is broken...	commit \| commitdiff \| tree
2013-01-11	David van der Spoel	Fixes #994 confusion in atomprop.	commit \| commitdiff \| tree
2013-01-07	David van der Spoel	Merge "Removed reference to nonexistent file in g_helix...	commit \| commitdiff \| tree
2012-11-27	David van der Spoel	Merge "Merge release-4-5-patches into release-4-6"...	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
2012-11-17	David van der Spoel	Merge "Added grompp warning" into release-4-6	commit \| commitdiff \| tree
2012-11-17	David van der Spoel	Merge "Remove rest of the xml support" into release-4-6	commit \| commitdiff \| tree
2012-11-16	David van der Spoel	Merge "Removes unused files" into release-4-6	commit \| commitdiff \| tree
2012-11-12	David van der Spoel	Fixes #1020 options in g_enemat	commit \| commitdiff \| tree
2012-10-26	David van der Spoel	Merge "Fixed Pulp Fiction quote" into release-4-5-patches	commit \| commitdiff \| tree
2012-10-21	David van der Spoel	Fixed Bug #593 about memory hole in trjcat.	commit \| commitdiff \| tree
2012-10-13	David van der Spoel	Merge "Fixing issues with replica exchange" into release-4-6	commit \| commitdiff \| tree
2012-10-12	David van der Spoel	Merge "[tools] g_sans - add trajectory avereging"	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
2012-07-15	David van der Spoel	Merge "Autogenerate gromacs.7 from programs.txt" into...	commit \| commitdiff \| tree
2012-07-05	David van der Spoel	Merge "Improve ProgramInfo and use it everywhere."	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
2012-05-27	David van der Spoel	Merge "added explicit sqrtf to the float version of...	commit \| commitdiff \| tree
2012-05-25	David van der Spoel	Merge "grompp now retains the order of bonds converted...	commit \| commitdiff \| tree
2012-05-03	David van der Spoel	Merge "Removed unused code from src/kernel/."	commit \| commitdiff \| tree
2012-04-29	David van der Spoel	Merge "changed number of iatoms for F_SETTLE from 1...	commit \| commitdiff \| tree
2012-04-29	David van der Spoel	Merge "added support for graphs not starting at 0"...	commit \| commitdiff \| tree
2012-04-26	David van der Spoel	Merge "[tools] g_sans - splited out fixes and added...	commit \| commitdiff \| tree
2012-04-26	David van der Spoel	Merge "Various improvements to shell code" into release...	commit \| commitdiff \| tree
2012-04-16	David van der Spoel	Merge "Added support for dssp2.X with the -ver option...	commit \| commitdiff \| tree
2012-04-16	David van der Spoel	Merge "Expanded the help text regarding the -r2 and...	commit \| commitdiff \| tree
2012-04-02	David van der Spoel	Merge "Improved pdb2gmx error message" into release...	commit \| commitdiff \| tree
2012-03-18	David van der Spoel	Merge "Fix typo in Clang CFlags" into release-4-5-patches	commit \| commitdiff \| tree
2012-03-18	David van der Spoel	Merge "Merge release-4-5-patches into release-4-6"...	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
2012-03-09	David van der Spoel	Merge "Improved cryptic error message" into release...	commit \| commitdiff \| tree
2012-03-08	David van der Spoel	Merge "Minimal support for Clang" into release-4-5...	commit \| commitdiff \| tree
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