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Merge "added support for graphs not starting at 0" into release-4-6
[alexxy/gromacs.git] / src /
2012-04-29 David van der SpoelMerge "added support for graphs not starting at 0"... tree | commitdiff
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-28 Berk Hessfixed PME forces with FE, fixes #929 introduced in... tree | commitdiff
2012-04-28 Teemu MurtolaMerge "Fix for sigaction" into release-4-6 tree | commitdiff
2012-04-28 Roland SchulzFix srenew/sfree_aligned misuse in PME tree | commitdiff
2012-04-28 Mark AbrahamMerge "Remove checks based on Generator" into release... tree | commitdiff
2012-04-28 Mark AbrahamMerge "Fix version info generation for autoconf." into... tree | commitdiff
2012-04-27 Berk Hessfixed segv in TPI with PME, fixes #927 tree | commitdiff
2012-04-27 Berk Hesschanged PME MPI_Comm comparisions to MPI_COMM_NULL... tree | commitdiff
2012-04-27 Teemu MurtolaFix version info generation for autoconf. tree | commitdiff
2012-04-27 Roland SchulzFix for sigaction tree | commitdiff
2012-04-26 Berk Hessadded support for graphs not starting at 0 tree | commitdiff
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-04-26 David van der SpoelMerge "[tools] g_sans - splited out fixes and added... tree | commitdiff
2012-04-26 Berk Hessfixed the reported temperature with Brownian dynamics tree | commitdiff
2012-04-26 Berk Hessfixed dispersion correction with parallel EM tree | commitdiff
2012-04-26 Szilárd PállMerge "fixed initial COM motion removal with multiple... tree | commitdiff
2012-04-26 Alexey Shvetsov[tools] g_sans - splited out fixes and added citation tree | commitdiff
2012-04-26 David van der SpoelMerge "Various improvements to shell code" into release... tree | commitdiff
2012-04-25 Berk Hessreplaced PPPM by P3M-AD: a few lines in pme.c tree | commitdiff
2012-04-25 Berk Hessfixed initial COM motion removal with multiple groups tree | commitdiff
2012-04-24 Berk HessMerge "allow -append to overrule unsupported file locki... tree | commitdiff
2012-04-23 Christoph JunghansMerge "compiler flag fixes" into release-4-6 tree | commitdiff
2012-04-22 Roland SchulzResolving a couple of clang analyzer warnings tree | commitdiff
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun... tree | commitdiff
2012-04-19 Mark AbrahamVarious improvements to shell code tree | commitdiff
2012-04-18 Berk Hessfixed segfault in graph code with coordinate subsets tree | commitdiff
2012-04-18 Mark AbrahamRemoved outdated #includes tree | commitdiff
2012-04-18 Berk Hessallow -append to overrule unsupported file locking tree | commitdiff
2012-04-18 Szilard Palladded missing #ifdef around #include "thread_mpi.h" tree | commitdiff
2012-04-17 Berk Hesschanged mdrun file locking not supported error to a... tree | commitdiff
2012-04-17 Mark AbrahamAdded Windows-specific #defines, and use them tree | commitdiff
2012-04-16 Roland SchulzMerge "changed default for nstxout, nstvout and nstlog... tree | commitdiff
2012-04-16 Roland SchulzMerge "checkpoint files now contain a double precision... tree | commitdiff
2012-04-16 David van der SpoelMerge "Added support for dssp2.X with the -ver option... tree | commitdiff
2012-04-16 David van der SpoelMerge "Expanded the help text regarding the -r2 and... tree | commitdiff
2012-04-16 Erik MarklundExpanded the help text regarding the -r2 and -ac options. tree | commitdiff
2012-04-16 Berk Hesschanged default for nstxout, nstvout and nstlog tree | commitdiff
2012-04-16 Berk Hesscheckpoint files now contain a double precision flag tree | commitdiff
2012-04-16 Roland SchulzRestart IO operations when interrupter by signal tree | commitdiff
2012-04-16 Sander PronkMerge "Permit threads build on Cygwin" into release... tree | commitdiff
2012-04-16 Erik MarklundAdded support for dssp2.X with the -ver option tree | commitdiff
2012-04-15 Szilard Pallenable command line option cheking in mdrun tree | commitdiff
2012-04-14 Teemu MurtolaMerge "Clarified warning message" into release-4-5... tree | commitdiff
2012-04-14 Teemu MurtolaMerge "Clarified warning string" into release-4-5-patches tree | commitdiff
2012-04-14 Mark AbrahamDescribed default output behaviour tree | commitdiff
2012-04-14 Mark AbrahamClarified warning message tree | commitdiff
2012-04-14 Mark AbrahamClarified warning string tree | commitdiff
2012-04-12 Teemu MurtolaRead PDB information in read_tps_conf(). tree | commitdiff
2012-04-11 Roland SchulzFix that directory is not mistaken for binary tree | commitdiff
2012-04-10 Mark AbrahamMade g_helix sensitive to CHARMM atom naming tree | commitdiff
2012-04-09 Christoph JunghansMerge "Documentation and error message enhancements... tree | commitdiff
2012-04-09 Mark AbrahamDocumentation and error message enhancements tree | commitdiff
2012-04-09 Christoph JunghansMerge "Consolidated documentation of .mdp restraint... tree | commitdiff
2012-04-06 Roland SchulzFix domain decomposition setup for >46k cores tree | commitdiff
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-04-03 Roland SchulzMerge "Fixes problems with g_msd and g_energy" into... tree | commitdiff
2012-04-02 Michael ShirtsFixes problems with g_msd and g_energy tree | commitdiff
2012-04-02 David van der SpoelMerge "Improved pdb2gmx error message" into release... tree | commitdiff
2012-04-02 Mark AbrahamImproved pdb2gmx error message tree | commitdiff
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-03-28 Christoph JunghansMerge "Resolving clang analyzer warnings in analysis... tree | commitdiff
2012-03-27 Roland SchulzResolving clang analyzer warnings in analysis tree | commitdiff
2012-03-27 Berk Hessadded correction for PME virial with non-linear virtual... tree | commitdiff
2012-03-26 Roland SchulzWarn when a value is unused tree | commitdiff
2012-03-23 Berk Hessfixed g_bar xvg reading issue tree | commitdiff
2012-03-21 Roland SchulzRemoving unused code tree | commitdiff
2012-03-20 Roland SchulzFix incorrect fclose usage tree | commitdiff
2012-03-18 Christoph JunghansMerge "Warnings against equilibrating with P-R P-coupli... tree | commitdiff
2012-03-18 David van der SpoelMerge "Fix typo in Clang CFlags" into release-4-5-patches tree | commitdiff
2012-03-18 Mark AbrahamWarnings against equilibrating with P-R P-coupling tree | commitdiff
2012-03-18 David van der SpoelMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-03-17 Berk Hessfixed increasing memory usage with SHAKE and DD tree | commitdiff
2012-03-17 David van der SpoelRemoved qhop files from this branch. tree | commitdiff
2012-03-16 Berk Hessfixed incorrect table allocation tree | commitdiff
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-03-15 Christoph JunghansMerge "Clarified wording of documentation" into release... tree | commitdiff
2012-03-15 Roland SchulzFix most errors found by cppcheck tree | commitdiff
2012-03-14 Mark AbrahamChanged cryptic error messages about disk quota tree | commitdiff
2012-03-13 Roland SchulzMerge "mdrun -npme without PME or with PD now generates... tree | commitdiff
2012-03-13 Christoph JunghansMerge "Vibration spectra from velocity ACF or Normal... tree | commitdiff
2012-03-13 Berk Hessmdrun -npme without PME or with PD now generates a... tree | commitdiff
2012-03-12 Christoph JunghansMerge "More editorial fixes to tool documentation"... tree | commitdiff
2012-03-12 Teemu MurtolaMerge "Made description string for g_select -select... tree | commitdiff
2012-03-10 David van der SpoelVibration spectra from velocity ACF or Normal modes. tree | commitdiff
2012-03-09 Roland SchulzMerge "Improve FindFFTW" into release-4-6 tree | commitdiff
2012-03-09 David van der SpoelMerge "Improved cryptic error message" into release... tree | commitdiff
2012-03-09 Carsten KutznerMerge "Improved warning note with DD and periodic molec... tree | commitdiff
2012-03-09 Mark AbrahamMore editorial fixes to tool documentation tree | commitdiff
2012-03-09 Mark AbrahamEditorial changes to tools documentation tree | commitdiff
2012-03-08 Mark AbrahamImproved warning note with DD and periodic molecules tree | commitdiff
2012-03-08 Mark AbrahamMade description string for g_select -select clearer tree | commitdiff
2012-03-08 Mark AbrahamImproved cryptic error message tree | commitdiff
2012-03-08 David van der SpoelMerge "Minimal support for Clang" into release-4-5... tree | commitdiff
2012-03-05 Berk Hessfixed g_anaeig incorrect multiple extremes, fixes #870 tree | commitdiff
2012-03-05 Berk Hessadded check for mass-weighting with g_anaeig -entropy... tree | commitdiff
2012-03-05 Berk Hessremoved initial temperature with OpenMM, fixes #757 tree | commitdiff
2012-03-04 Roland SchulzMinimal support for Clang tree | commitdiff
2012-03-01 Alexey Shvetsov[tools] Move common functions from gmx_sans.c to nsfactor.c tree | commitdiff
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