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2012-04-26 Szilárd PállMerge "fixed initial COM motion removal with multiple... tree | commitdiff
2012-04-26 David van der SpoelMerge "Various improvements to shell code" into release... 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
2012-04-19 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 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
2012-04-16 Sander PronkMerge "Permit threads build on Cygwin" into release... 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 "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
2012-03-27 Berk Hessadded correction for PME virial with non-linear virtual... tree | commitdiff
2012-03-23 Berk Hessfixed g_bar xvg reading issue 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
2012-03-17 Berk Hessfixed increasing memory usage with SHAKE and DD tree | commitdiff
2012-03-15 Christoph JunghansMerge "Clarified wording of documentation" into release... tree | commitdiff
2012-03-14 Mark AbrahamChanged cryptic error messages about disk quota 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
2012-03-09 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
2012-02-28 Berk Hessfixed array index out of bounds in EM force trr storage tree | commitdiff
2012-02-25 David van der SpoelMerge "Minor formatting fixes to .mdp option documentat... tree | commitdiff
2012-02-23 Mark AbrahamFix pdb2gmx -cmap in corner cases tree | commitdiff
2012-02-21 Teemu MurtolaMerge "Use Git server (mirror) to avoid fetching proble... tree | commitdiff
2012-02-13 Sander PronkFixed an allocation issue with dH histograms. tree | commitdiff
2012-02-11 Szilárd PállMerge changes If0c2f9d9,Ic2a8ad82 into release-4-5... tree | commitdiff
2012-02-10 Mark AbrahamFixed g_sham using more than three dimensions tree | commitdiff
2012-02-10 Mark AbrahamInteger multiplication that checks for overflow tree | commitdiff
2012-02-10 Christoph JunghansMerge "Fixed bug with COM motion removal on part of... tree | commitdiff
2012-02-06 Berk HessFixed bug with COM motion removal on part of the system tree | commitdiff
2012-02-05 Roland SchulzFix ICC on Windows Build tree | commitdiff
2012-02-02 Szilárd PállMerge "Append all ICC Performance flags only to Release... tree | commitdiff
2012-02-02 Teemu MurtolaMerge "Revert "Fix ICC on Windows Build"" into release... tree | commitdiff
2012-02-01 David van der SpoelMerge "Fixed error message to identify the correct... tree | commitdiff
2012-02-01 David van der SpoelMerge "Fixed trjconv -sub" into release-4-5-patches tree | commitdiff
2012-02-01 David van der SpoelMerge "Improved error message" into release-4-5-patches tree | commitdiff
2012-02-01 Mark AbrahamFixed trjconv -sub tree | commitdiff
2012-02-01 Mark AbrahamFixed error message to identify the correct file tree | commitdiff
2012-02-01 Christoph JunghansMerge "Fix signed/unsigned warnings" into release-4... tree | commitdiff
2012-02-01 Mark AbrahamImproved error message tree | commitdiff
2012-01-31 Roland SchulzRevert "Fix ICC on Windows Build" tree | commitdiff
2012-01-31 David van der SpoelMerge "Fix ICC on Windows Build" into release-4-5-patches tree | commitdiff
2012-01-31 Mark AbrahamMerge "Corrected use of ?: in conditional" into release... tree | commitdiff
2012-01-31 Roland SchulzFix signed/unsigned warnings tree | commitdiff
2012-01-31 Mark AbrahamMade error message even more explicit tree | commitdiff
2012-01-31 Roland SchulzFix ICC on Windows Build tree | commitdiff
2012-01-31 Mark AbrahamCorrected use of ?: in conditional tree | commitdiff
2012-01-25 Roland SchulzMerge "New approach for GerritBuild script" into releas... tree | commitdiff
2012-01-20 David van der SpoelMerge "Fixed timing measurements." into release-4-5... tree | commitdiff
2012-01-17 Szilard PallFixed timing measurements. tree | commitdiff
2012-01-16 Sander PronkThread affinity and x86 assembly fixes for thread_mpi tree | commitdiff
2012-01-15 Christoph JunghansMerge "Added CMake Toolchain file for BlueGene/P" into... tree | commitdiff
2012-01-10 Mark AbrahamFixed use of isfinite and _isfinite tree | commitdiff
2012-01-04 Christoph JunghansMerge "Documented the function of g_cluster -cl -noav... tree | commitdiff
2012-01-04 David van der SpoelIntroduced fatal error in grompp for incorrect use... tree | commitdiff
2011-12-29 Mark AbrahamDocumented the function of g_cluster -cl -noav tree | commitdiff
2011-12-27 Roland SchulzMerge "Added -dhdl to tpr file list, fixes #855" into... tree | commitdiff
2011-12-20 Carsten KutznerAdded -dhdl to tpr file list, fixes #855 tree | commitdiff
2011-12-20 Roland SchulzMerge "Using MinSizeRel configuration and Release targe... tree | commitdiff
2011-12-15 Roland SchulzUsing MinSizeRel configuration and Release target on... tree | commitdiff
2011-12-14 Roland SchulzMerge "Re-fixed static linking of maths libraries under... tree | commitdiff
2011-12-13 Roland SchulzMerge "Relaxed some assumptions about trajectory times... tree | commitdiff
2011-12-13 Mark AbrahamRelaxed some assumptions about trajectory times tree | commitdiff
2011-12-11 Roland SchulzMerge "Set -DMPI only if compiled for FAH" into release... tree | commitdiff
2011-12-11 Roland SchulzFixing MSVC unsigned/signed warnings tree | commitdiff
2011-12-09 Roland SchulzOnly check those atoms for PBC which are part of select... tree | commitdiff
2011-12-08 Roland SchulzMerge "Fix selection parsing in double precision."... tree | commitdiff
2011-12-08 Roland SchulzMerge "Avoid possible warnings if HUGE_VAL != infinity... tree | commitdiff
2011-12-01 Teemu MurtolaFix selection parsing in double precision. tree | commitdiff
2011-12-01 Teemu MurtolaAvoid possible warnings if HUGE_VAL != infinity. tree | commitdiff
2011-11-28 Roland SchulzFix FFTW API usage tree | commitdiff
2011-11-27 Roland SchulzMerge "Initialize variables to make GCC 4.6 not complai... tree | commitdiff
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