alexxy/gromacs.git
2012-03-10 David van der... Vibration spectra from velocity ACF or Normal modes.
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...
2012-02-10 Berk Hessfixed gmxcheck segv with tpr files without AdResS
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...
2012-02-05 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
2012-02-01 Christoph JunghansMerge "Fix signed/unsigned warnings" into release-4...
2012-02-01 Mark AbrahamImproved error message
2012-01-31 Roland SchulzRevert "Fix ICC on Windows Build"
2012-01-31 Martin Hoeflingimplemented -intra switch for g_dist (now based on...
2012-01-31 Roland SchulzAppend all ICC Performance flags only to Release Flags
2012-01-31 David van der... Merge "Fix ICC on Windows Build" into release-4-5-patches
2012-01-31 David van der... Changed order of parameters in top file
2012-01-31 Mark AbrahamMerge "Corrected use of ?: in conditional" into release...
2012-01-31 Roland SchulzFix signed/unsigned warnings
2012-01-31 Mark AbrahamMade error message even more explicit
2012-01-31 Roland SchulzFix ICC on Windows Build
2012-01-31 Mark AbrahamCorrected use of ?: in conditional
2012-01-25 Alexey Shvetsovg_sans - tool to compute SANS spectra
2012-01-25 Roland SchulzMerge "Merge release-4-5-patches into release-4-6"...
2012-01-25 Roland SchulzMerge "New approach for GerritBuild script" into releas...
2012-01-25 Berk HessMerge "Added two new bonded functions." into release-4-6
2012-01-25 David van der... Added two new bonded functions.
2012-01-25 Christoph Junghansmake gromacs manual build again
2012-01-24 Sebastian FritschMerge "document AdResS mdp options" into release-4-6
2012-01-23 Christoph Junghansdocument AdResS mdp options
2012-01-23 Carsten KutznerNew tool that extracts dye dynamics from trajectories
2012-01-20 David van der... Merge "Fixed timing measurements." into release-4-5...
2012-01-19 Roland SchulzMerge release-4-5-patches into release-4-6
2012-01-18 Roland SchulzNew approach for GerritBuild script
2012-01-18 Roland SchulzRevert "Replace stderr by stdout in editconf terminal...
2012-01-17 Szilard PallFixed timing measurements.
2012-01-17 David van der... Replace stderr by stdout in editconf terminal output...
2012-01-16 Sander PronkThread affinity and x86 assembly fixes for thread_mpi
2012-01-15 Christoph JunghansMerge "Added CMake Toolchain file for BlueGene/P" into...
2012-01-14 Mark AbrahamMerge "Remove use of FindMPI.cmake" into release-4-6
2012-01-14 Mark AbrahamMerge "Removing outdated vsite comment" into release-4-6
2012-01-14 Mark AbrahamRemove use of FindMPI.cmake
2012-01-14 Christoph JunghansCMake improvements
2012-01-13 Roland SchulzMerge "Fixed MSVC compiling with plug-in support" into...
2012-01-13 Roland SchulzRemoving outdated vsite comment
2012-01-10 Christoph JunghansAdds AdResS feature to gromacs
2012-01-10 Mark AbrahamFixed use of isfinite and _isfinite
2012-01-09 Mark AbrahamFixed MSVC compiling with plug-in support
2012-01-09 Mark AbrahamFixed use of _snprintf_s with MSVC
2012-01-08 Roland SchulzCheck for VMD plugins that they are at least abi-version 10
2012-01-07 Mark AbrahamMade use of VMD plugins more robust
2012-01-04 Christoph JunghansMerge "Documented the function of g_cluster -cl -noav...
2012-01-04 David van der... Introduced fatal error in grompp for incorrect use...
2012-01-04 Mark AbrahamAdded CMake Toolchain file for BlueGene/P
2011-12-29 Mark AbrahamDocumented the function of g_cluster -cl -noav
2011-12-27 Roland SchulzMerge "Added -dhdl to tpr file list, fixes #855" into...
2011-12-26 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2011-12-20 Carsten KutznerAdded -dhdl to tpr file list, fixes #855
2011-12-20 Roland SchulzMerge release-4-5-patches into release-4-6
2011-12-20 Roland SchulzMerge "Using MinSizeRel configuration and Release targe...
2011-12-20 Roland SchulzMerge changes Iaf4c56b7,Ibabed87f into release-4-5...
2011-12-19 Christoph JunghansSet GMX_*_ASM true if GMX_ACCELERATION != auto
2011-12-19 Carsten KutznerEnforced rotation
2011-12-15 Roland SchulzUsing MinSizeRel configuration and Release target on...
2011-12-15 Roland SchulzTesting external BLAS/LAPACK
2011-12-15 Roland SchulzUsing 2 cores per build on Windows
2011-12-14 Roland SchulzMerge "Re-fixed static linking of maths libraries under...
2011-12-14 Mark AbrahamRe-fixed static linking of maths libraries under UNIX
2011-12-13 Roland SchulzMerge "Converted macro usage for readability" into...
2011-12-13 Mark AbrahamConverted macro usage for readability
2011-12-13 Roland SchulzMerge "Relaxed some assumptions about trajectory times...
2011-12-13 Mark AbrahamRelaxed some assumptions about trajectory times
2011-12-12 Mark AbrahamFixed macros that ended in semicolons
2011-12-11 Roland SchulzMerge release-4-5-patches into release-4-6
2011-12-11 Roland SchulzMerge "Set -DMPI only if compiled for FAH" into release...
2011-12-11 Roland SchulzSet -DMPI only if compiled for FAH
2011-12-11 Roland SchulzFixing MSVC unsigned/signed warnings
2011-12-10 Roland SchulzRun tests also on Windows
2011-12-09 Roland SchulzOnly check those atoms for PBC which are part of select...
2011-12-08 Roland SchulzMerge "Added an option to easily compile contrib progra...
2011-12-08 Roland SchulzMerge "Fix selection parsing in double precision."...
2011-12-08 Roland SchulzMerge "Avoid possible warnings if HUGE_VAL != infinity...
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