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Removed qhop files from this branch.
[alexxy/gromacs.git] / src /
2012-03-17 David van der SpoelRemoved qhop files from this branch. tree | commitdiff
2012-03-16 Berk Hessfixed incorrect table allocation tree | commitdiff
2012-03-15 Roland SchulzFix most errors found by cppcheck 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
2012-03-10 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
2012-03-01 Alexey Shvetsov[tools] Move common functions from gmx_sans.c to nsfactor.c tree | commitdiff
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-02-28 Berk Hessfixed array index out of bounds in EM force trr storage tree | commitdiff
2012-02-26 Berk Hessuse separate PME nodes with #nodes>18 tree | commitdiff
2012-02-25 David van der SpoelMerge "Minor formatting fixes to .mdp option documentat... tree | commitdiff
2012-02-23 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-23 Berk Hessadded tpx file tag string 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
2012-02-21 Christoph JunghansMerge "changed default epsilon-rf value to 0" into... tree | commitdiff
2012-02-20 Berk Hesschanged default epsilon-rf value to 0 tree | commitdiff
2012-02-19 Berk HessMerge "Generate warnings for QMMM usage" into release-4-6 tree | commitdiff
2012-02-15 Gerrit GroenhofGenerate warnings for QMMM usage tree | commitdiff
2012-02-15 Christoph JunghansRemoved FFTw2 support tree | commitdiff
2012-02-15 Roland SchulzMerge "Cmake: unite FindFFTW3* into one file" into... 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 Berk Hessfixed gmxcheck segv with tpr files without AdResS 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
2012-02-09 Szilard Pallrenamed GMX_THREADS to GMX_THREAD_MPI tree | commitdiff
2012-02-08 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-08 Christoph JunghansMerge "fixed confusing nonbonded kernel pointer initial... 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
2012-02-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-03 David van der SpoelMerge "Improved the accuracy of the sd1 integrator... tree | commitdiff
2012-02-02 Szilárd PállMerge "Append all ICC Performance flags only to Release... tree | commitdiff
2012-02-02 Szilárd PállMerge "Merges in threading branch as one squashed commi... tree | commitdiff
2012-02-02 Szilard Pallfixed confusing nonbonded kernel pointer initialization tree | commitdiff
2012-02-02 Roland SchulzMerges in threading branch as one squashed commit tree | commitdiff
2012-02-02 Teemu MurtolaMerge "Revert "Fix ICC on Windows Build"" into release... tree | commitdiff
2012-02-02 Berk HessImproved the accuracy of the sd1 integrator tree | commitdiff
2012-02-01 Christoph Junghansinitialize adress_do_hybridpairs=FALSE by default tree | commitdiff
2012-02-01 David van der SpoelMerge "g_sans - tool to compute SANS spectra" into... 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 Martin Hoeflingimplemented -intra switch for g_dist (now based on... tree | commitdiff
2012-01-31 David van der SpoelMerge "Fix ICC on Windows Build" into release-4-5-patches tree | commitdiff
2012-01-31 David van der SpoelChanged order of parameters in top file 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 Alexey Shvetsovg_sans - tool to compute SANS spectra tree | commitdiff
2012-01-25 Roland SchulzMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-01-25 Roland SchulzMerge "New approach for GerritBuild script" into releas... tree | commitdiff
2012-01-25 Berk HessMerge "Added two new bonded functions." into release-4-6 tree | commitdiff
2012-01-25 David van der SpoelAdded two new bonded functions. tree | commitdiff
2012-01-25 Christoph Junghansmake gromacs manual build again tree | commitdiff
2012-01-24 Sebastian FritschMerge "document AdResS mdp options" into release-4-6 tree | commitdiff
2012-01-23 Carsten KutznerNew tool that extracts dye dynamics from trajectories tree | commitdiff
2012-01-20 David van der SpoelMerge "Fixed timing measurements." into release-4-5... tree | commitdiff
2012-01-19 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-01-18 Roland SchulzRevert "Replace stderr by stdout in editconf terminal... tree | commitdiff
2012-01-17 Szilard PallFixed timing measurements. tree | commitdiff
2012-01-17 David van der SpoelReplace stderr by stdout in editconf terminal output... 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
2012-01-13 Roland SchulzMerge "Fixed MSVC compiling with plug-in support" into... tree | commitdiff
2012-01-10 Christoph JunghansAdds AdResS feature to gromacs tree | commitdiff
2012-01-10 Mark AbrahamFixed use of isfinite and _isfinite tree | commitdiff
2012-01-09 Mark AbrahamFixed use of _snprintf_s with MSVC tree | commitdiff
2012-01-08 Roland SchulzCheck for VMD plugins that they are at least abi-version 10 tree | commitdiff
2012-01-07 Mark AbrahamMade use of VMD plugins more robust 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
2011-12-26 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2011-12-20 Carsten KutznerAdded -dhdl to tpr file list, fixes #855 tree | commitdiff
2011-12-20 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2011-12-20 Roland SchulzMerge "Using MinSizeRel configuration and Release targe... tree | commitdiff
2011-12-19 Carsten KutznerEnforced rotation 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 "Converted macro usage for readability" into... tree | commitdiff
2011-12-13 Mark AbrahamConverted macro usage for readability 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
2011-12-12 Mark AbrahamFixed macros that ended in semicolons tree | commitdiff
2011-12-11 Roland SchulzMerge release-4-5-patches into release-4-6 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
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