alexxy/gromacs.git
2012-04-16 David van der... Merge "Expanded the help text regarding the -r2 and...
2012-04-16 Erik MarklundExpanded the help text regarding the -r2 and -ac options.
2012-04-16 Roland SchulzRestart IO operations when interrupter by signal
2012-04-12 Christoph JunghansReworked FindFFTW.cmake
2012-04-11 Mark AbrahamIntroduce include/gmxconfig.h
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-04-03 Roland SchulzMerge "Fixes problems with g_msd and g_energy" into...
2012-04-02 Michael ShirtsFixes problems with g_msd and g_energy
2012-04-02 David van der... Merge "Improved pdb2gmx error message" into release...
2012-04-02 Mark AbrahamImproved pdb2gmx error message
2012-04-02 Mark AbrahamKeep CMake quiet about a Cygwin issue
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-28 Christoph JunghansMerge "Resolving clang analyzer warnings in analysis...
2012-03-27 Roland SchulzResolving clang analyzer warnings in analysis
2012-03-27 Berk Hessadded correction for PME virial with non-linear virtual...
2012-03-26 Roland SchulzWarn when a value is unused
2012-03-23 Berk Hessfixed g_bar xvg reading issue
2012-03-21 Roland SchulzRemoving unused code
2012-03-20 Roland SchulzFix incorrect fclose usage
2012-03-18 Christoph JunghansMerge "Warnings against equilibrating with P-R P-coupli...
2012-03-18 David van der... Merge "Fix typo in Clang CFlags" into release-4-5-patches
2012-03-18 Mark AbrahamWarnings against equilibrating with P-R P-coupling
2012-03-18 David van der... Merge "Merge release-4-5-patches into release-4-6"...
2012-03-17 Berk Hessfixed increasing memory usage with SHAKE and DD
2012-03-17 David van der... Removed qhop files from this branch.
2012-03-16 Berk Hessfixed incorrect table allocation
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6
2012-03-15 Christoph JunghansMerge "Clarified wording of documentation" into release...
2012-03-15 Roland SchulzFix most errors found by cppcheck
2012-03-15 Mark AbrahamClarified wording of documentation
2012-03-14 Szilard Pallfixed appending OpenMP compiler option to flag list
2012-03-14 Mark AbrahamChanged cryptic error messages about disk quota
2012-03-13 Roland SchulzMerge "mdrun -npme without PME or with PD now generates...
2012-03-13 Christoph JunghansMerge "Vibration spectra from velocity ACF or Normal...
2012-03-13 Berk Hessmdrun -npme without PME or with PD now generates a...
2012-03-12 Christoph JunghansMerge "More editorial fixes to tool documentation"...
2012-03-12 Teemu MurtolaMerge "Made description string for g_select -select...
2012-03-10 David van der... Vibration spectra from velocity ACF or Normal modes.
2012-03-10 Roland SchulzActivating more GCC warnings
2012-03-10 Roland SchulzFix typo in Clang CFlags
2012-03-09 Roland SchulzMerge "Improve FindFFTW" into release-4-6
2012-03-09 David van der... Merge "Improved cryptic error message" into release...
2012-03-09 Carsten KutznerMerge "Improved warning note with DD and periodic molec...
2012-03-09 Mark AbrahamMore editorial fixes to tool documentation
2012-03-09 Mark AbrahamEditorial changes to tools documentation
2012-03-08 Christoph JunghansMake finite checks remember theirs results
2012-03-08 Mark AbrahamImproved warning note with DD and periodic molecules
2012-03-08 Mark AbrahamMade description string for g_select -select clearer
2012-03-08 Mark AbrahamImproved cryptic error message
2012-03-08 Christoph JunghansImprove FindFFTW
2012-03-08 David van der... Merge "Minimal support for Clang" into release-4-5...
2012-03-05 Berk Hessfixed g_anaeig incorrect multiple extremes, fixes #870
2012-03-05 Berk Hessadded check for mass-weighting with g_anaeig -entropy...
2012-03-05 Berk Hessremoved initial temperature with OpenMM, fixes #757
2012-03-04 Roland SchulzMinimal support for Clang
2012-03-01 Alexey Shvetsov[tools] Move common functions from gmx_sans.c to nsfactor.c
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-02-28 Berk Hessfixed array index out of bounds in EM force trr storage
2012-02-26 Berk Hessuse separate PME nodes with #nodes>18
2012-02-25 David van der... Merge "Minor formatting fixes to .mdp option documentat...
2012-02-24 Mark AbrahamMinor formatting fixes to .mdp option documentation
2012-02-23 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-23 Berk Hessadded tpx file tag string
2012-02-23 Mark AbrahamFix pdb2gmx -cmap in corner cases
2012-02-22 Sander PronkFixed ABI warning for thread_mpi on gcc 4.6 for x86.
2012-02-21 Teemu MurtolaMerge "Use Git server (mirror) to avoid fetching proble...
2012-02-21 Roland SchulzUse Git server (mirror) to avoid fetching problems
2012-02-21 Christoph JunghansMerge "changed default epsilon-rf value to 0" into...
2012-02-20 Berk Hesschanged default epsilon-rf value to 0
2012-02-19 Berk HessMerge "Generate warnings for QMMM usage" into release-4-6
2012-02-15 Gerrit GroenhofGenerate warnings for QMMM usage
2012-02-15 Christoph JunghansRemoved FFTw2 support
2012-02-15 Roland SchulzMerge "Cmake: unite FindFFTW3* into one file" into...
2012-02-13 Sander PronkFixed an allocation issue with dH histograms.
2012-02-11 Szilárd PállMerge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
2012-02-10 Berk Hessfixed gmxcheck segv with tpr files without AdResS
2012-02-10 Mark AbrahamFixed g_sham using more than three dimensions
2012-02-10 Mark AbrahamInteger multiplication that checks for overflow
2012-02-10 Christoph JunghansMerge "Fixed bug with COM motion removal on part of...
2012-02-10 Christoph JunghansCmake: unite FindFFTW3* into one file
2012-02-09 Szilard Pallrenamed GMX_THREADS to GMX_THREAD_MPI
2012-02-08 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-08 Christoph JunghansMerge "fixed confusing nonbonded kernel pointer initial...
2012-02-06 Berk HessFixed bug with COM motion removal on part of the system
2012-02-05 Roland SchulzFix ICC on Windows Build
2012-02-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-03 David van der... Merge "Improved the accuracy of the sd1 integrator...
2012-02-02 Szilárd PállMerge "Append all ICC Performance flags only to Release...
2012-02-02 Szilárd PállMerge "Merges in threading branch as one squashed commi...
2012-02-02 Szilard Pallfixed confusing nonbonded kernel pointer initialization
2012-02-02 Roland SchulzMerges in threading branch as one squashed commit
2012-02-02 Teemu MurtolaMerge "Revert "Fix ICC on Windows Build"" into release...
2012-02-02 Berk HessImproved the accuracy of the sd1 integrator
2012-02-01 Christoph Junghansinitialize adress_do_hybridpairs=FALSE by default
2012-02-01 David van der... Merge "g_sans - tool to compute SANS spectra" into...
2012-02-01 David van der... Merge "Fixed error message to identify the correct...
2012-02-01 David van der... Merge "Fixed trjconv -sub" into release-4-5-patches
2012-02-01 David van der... Merge "Improved error message" into release-4-5-patches
2012-02-01 Mark AbrahamFixed trjconv -sub
2012-02-01 Mark AbrahamFixed error message to identify the correct file
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