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

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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
2012-02-25	David van der Spoel	Merge "Minor formatting fixes to .mdp option documentation...	commit \| commitdiff \| tree
2012-02-03	David van der Spoel	Merge "Improved the accuracy of the sd1 integrator...	commit \| commitdiff \| tree
2012-02-01	David van der Spoel	Merge "g_sans - tool to compute SANS spectra" into...	commit \| commitdiff \| tree
2012-02-01	David van der Spoel	Merge "Fixed error message to identify the correct...	commit \| commitdiff \| tree
2012-02-01	David van der Spoel	Merge "Fixed trjconv -sub" into release-4-5-patches	commit \| commitdiff \| tree
2012-02-01	David van der Spoel	Merge "Improved error message" into release-4-5-patches	commit \| commitdiff \| tree
2012-01-31	David van der Spoel	Merge "Fix ICC on Windows Build" into release-4-5-patches	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
2012-01-22	David van der Spoel	Merge "Print context on reference data check failure."	commit \| commitdiff \| tree
2012-01-20	David van der Spoel	Merge "Fixed timing measurements." into release-4-5...	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
2011-10-18	David van der Spoel	Merge "Doxygen updates for fatalerror module."	commit \| commitdiff \| tree
2011-10-18	David van der Spoel	Merge "Misc. Doxygen improvements."	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
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