alexxy/gromacs.git
2012-06-15 Justin LemkulSimple patch for openmm_wrapper.cpp
2012-06-04 Michael ShirtsMerging in free energy, exp. ensemble, & andersen t...
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-06-01 Christoph JunghansMerge "Use External BLAS/LAPACK by default" into releas...
2012-06-01 Christoph JunghansMerge "Replace our fftpack version with Numpy's version...
2012-06-01 Roland SchulzReplace our fftpack version with Numpy's version
2012-05-30 Teemu MurtolaFix use after free in g_anaeig projection code.
2012-05-29 Sander PronkRemoved dependency on windows.h through commrec.h,...
2012-05-29 Christoph JunghansMerge "Revised g_tune_pme" into release-4-6
2012-05-28 Christoph JunghansMerge "Continuing to fix threading on Cygwin" into...
2012-05-27 Roland SchulzFix editconf real-bool misusage
2012-05-27 David van der... Merge "added explicit sqrtf to the float version of...
2012-05-27 Roland SchulzFix Clang 3.1 warning
2012-05-26 Mark AbrahamContinuing to fix threading on Cygwin
2012-05-25 Roland SchulzMake load_vmd_library static
2012-05-25 Roland SchulzMade all vmdio headers private
2012-05-25 Roland SchulzMerge "fixed [dd] and [TT] typos in documentation of...
2012-05-25 David van der... Merge "grompp now retains the order of bonds converted...
2012-05-25 Martin Hoeflingfixed [dd] and [TT] typos in documentation of mdrun...
2012-05-25 Christoph JunghansMerge "Fix that sigaction mask wasn't zeroed" into...
2012-05-24 Berk Hessnow mdrun always initializes MPI
2012-05-24 Teemu MurtolaMerge "Code cleanup to avoid name collisions" into...
2012-05-23 Carsten KutznerRevised g_tune_pme
2012-05-23 Roland SchulzFix that sigaction mask wasn't zeroed
2012-05-23 Roland SchulzCode cleanup to avoid name collisions
2012-05-22 Roland SchulzUse External BLAS/LAPACK by default
2012-05-22 Szilard Palladded explicit sqrtf to the float version of norm
2012-05-21 Berk Hessgrompp now retains the order of bonds converted to...
2012-05-21 Berk Hessre-introduced fix for real/double issue in gmx_density
2012-05-18 Roland SchulzRename BOOL to EBOOL
2012-05-17 Teemu MurtolaMerge "Fixing more clang warnings" into release-4-6
2012-05-17 Maarten Wolfmv membed.h from include to src/kernel
2012-05-16 Roland SchulzFixing more clang warnings
2012-05-09 Christoph JunghansMerge "Backporting "moving membed to mdrun" from master...
2012-05-09 Alexey Shvetsov[tools] g_sans - add OpenMP based parallelism
2012-05-08 Maarten WolfBackporting "moving membed to mdrun" from master
2012-05-08 Berk Hessfixed mdrun -cpi SD and pcoupl initialization
2012-05-08 Roland SchulzFixing more Clang warnings
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-05-05 Teemu MurtolaClean up cmake version generation.
2012-05-05 Teemu MurtolaDrop support for pre-1.5.3 git for version info.
2012-05-05 Teemu MurtolaFix cmake version info generation.
2012-05-05 Teemu MurtolaRemoved autoconf version info generation.
2012-05-02 Szilard Pallremoved -finline-functions from the release gcc flags
2012-05-02 Teemu MurtolaRemove #include <config.h> from pull_rotation.h.
2012-05-01 Roland SchulzFix Windows specific cmake hacks
2012-05-01 Roland SchulzMerge "Disable OpenMP for llvm-gcc 4.2.x" into release-4-6
2012-04-30 Roland SchulzFix gmxdump error introduced by 553d4b1369
2012-04-29 Roland SchulzDisable OpenMP for llvm-gcc 4.2.x
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 David van der... Merge "changed number of iatoms for F_SETTLE from 1...
2012-04-29 David van der... Merge "added support for graphs not starting at 0"...
2012-04-29 Roland SchulzDon't enable ASM if no asm kernel is selected
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-28 Berk Hessfixed PME forces with FE, fixes #929 introduced in...
2012-04-28 Teemu MurtolaMerge "Fix for sigaction" into release-4-6
2012-04-28 Roland SchulzFix srenew/sfree_aligned misuse in PME
2012-04-28 Mark AbrahamMerge "Remove checks based on Generator" into release...
2012-04-28 Mark AbrahamMerge "Fix version info generation for autoconf." into...
2012-04-27 Berk Hessfixed segv in TPI with PME, fixes #927
2012-04-27 Berk Hesschanged PME MPI_Comm comparisions to MPI_COMM_NULL...
2012-04-27 Berk Hesschanged number of iatoms for F_SETTLE from 1 to 3
2012-04-27 Teemu MurtolaFix version info generation for autoconf.
2012-04-27 Roland SchulzRemove checks based on Generator
2012-04-27 Roland SchulzFix for sigaction
2012-04-26 Berk Hessadded support for graphs not starting at 0
2012-04-26 Berk HessMerge "Merge release-4-5-patches into release-4-6"...
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
2012-04-26 David van der... Merge "[tools] g_sans - splited out fixes and added...
2012-04-26 Berk Hessfixed the reported temperature with Brownian dynamics
2012-04-26 Berk Hessfixed dispersion correction with parallel EM
2012-04-26 Szilard PallCorrected fourierspacing description
2012-04-26 Szilárd PállMerge "fixed initial COM motion removal with multiple...
2012-04-26 Alexey Shvetsov[tools] g_sans - splited out fixes and added citation
2012-04-26 David van der... Merge "Various improvements to shell code" into release...
2012-04-25 Berk Hessreplaced PPPM by P3M-AD: a few lines in pme.c
2012-04-25 Berk Hessfixed initial COM motion removal with multiple groups
2012-04-24 Berk HessMerge "allow -append to overrule unsupported file locki...
2012-04-23 Christoph JunghansMerge "compiler flag fixes" into release-4-6
2012-04-22 Roland SchulzResolving a couple of clang analyzer warnings
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun...
2012-04-19 Szilard Pallcompiler flag fixes
2012-04-19 Mark AbrahamVarious improvements to shell code
2012-04-18 Berk Hessfixed segfault in graph code with coordinate subsets
2012-04-18 Mark AbrahamRemoved outdated #includes
2012-04-18 Berk Hessallow -append to overrule unsupported file locking
2012-04-18 Szilard Palladded missing #ifdef around #include "thread_mpi.h"
2012-04-17 Berk Hesschanged mdrun file locking not supported error to a...
2012-04-17 Mark AbrahamAdded Windows-specific #defines, and use them
2012-04-17 Mark AbrahamRename gmxconfig.h to gmx_header_config.h
2012-04-16 Roland SchulzMerge "changed default for nstxout, nstvout and nstlog...
2012-04-16 Roland SchulzMerge "checkpoint files now contain a double precision...
2012-04-16 David van der... Merge "Added support for dssp2.X with the -ver option...
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 Berk Hesschanged default for nstxout, nstvout and nstlog
2012-04-16 Berk Hesscheckpoint files now contain a double precision flag
2012-04-16 Roland SchulzRestart IO operations when interrupter by signal
2012-04-16 Sander PronkMerge "Permit threads build on Cygwin" into release...
2012-04-16 Erik MarklundAdded support for dssp2.X with the -ver option
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