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

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2015-07-29	Erik Lindahl	Update naming standards to avoid hungarian notation...	commit \| commitdiff \| tree
2015-07-24	Teemu Murtola	Rename trnio.* to trrio.*	commit \| commitdiff \| tree
2015-05-12	Jochen Hub	OpenMP parallelization of g_wham	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
2014-10-28	David van der Spoel	Even more refreshing quotes.	commit \| commitdiff \| tree
2014-09-22	Mark Abraham	More quotes	commit \| commitdiff \| tree
2014-09-22	Erik Lindahl	More quotes	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	Add support for cumulative histograms	commit \| commitdiff \| tree
2014-09-17	David van der Spoel	Merge release-5-0 into master	commit \| commitdiff \| tree
2014-08-30	David van der Spoel	Fixes issue with vsiten and verlet buffers.	commit \| commitdiff \| tree
2014-06-25	David van der Spoel	Added check for domain decomposition and shells.	commit \| commitdiff \| tree
2014-06-22	David van der Spoel	Implemented fatal error for nstcalcenergy!=1 with shells.	commit \| commitdiff \| tree
2014-06-13	Berk Hess	Made shells work with the Verlet scheme	commit \| commitdiff \| tree
2014-06-12	Berk Hess	Made gmxcheck -rmsd work again with forces	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Make sure genrestr uses the disre_up2 parameter	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Removed undocumented -map and -mdata options from g_sham.	commit \| commitdiff \| tree
2014-06-12	Erik Lindahl	Always write output from genion	commit \| commitdiff \| tree
2014-06-11	David van der Spoel	Fixes bug where -e and -dt flags did not work anymore.	commit \| commitdiff \| tree
2014-06-11	Berk Hess	Made repl_ex time step more readable	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Improve (Selection\|FileName)OptionManager handling	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Replace all command line parsing with Options	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Move residuetype handling to its own file.	commit \| commitdiff \| tree
2014-06-07	Teemu Murtola	Remove support for "old" index file format	commit \| commitdiff \| tree
2014-05-31	Magnus Lundborg	Fix bug writing TNG output from dump.	commit \| commitdiff \| tree
2014-05-31	Magnus Lundborg	Bug fix in the TNG library to improve reading.	commit \| commitdiff \| tree
2014-05-24	Mark Abraham	Move tools code to where it is used	commit \| commitdiff \| tree
2014-05-18	Teemu Murtola	Move 3dview.* to programs/view/	commit \| commitdiff \| tree
2014-05-16	David van der Spoel	Fixes a complicated bug in g_anaeig.	commit \| commitdiff \| tree
2014-03-17	Teemu Murtola	Update manual analysis section	commit \| commitdiff \| tree
2014-02-21	Nina Fischer	Added new amber99sb-ildn-bsc0 force field.	commit \| commitdiff \| tree
2014-02-10	David van der Spoel	Moved conditional cmake code for vmdio.	commit \| commitdiff \| tree
2014-01-19	Mark Abraham	Clean up after gmxcpp	commit \| commitdiff \| tree
2013-12-23	David van der Spoel	Fixed compilation issue due to gcc4.8	commit \| commitdiff \| tree
2013-07-24	David van der Spoel	Fixes #1312 uninitialized error in g_enemat.	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
2013-03-07	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
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
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