added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git] / src / gmxlib / main.c
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-09-24 KassonMerge "Fixed segfault with FE code for older tpr files...
2012-09-17 Mark AbrahamMade construction of parallel filenames less noisy
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-07-29 Roland SchulzFix Segfaults in Genion
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD
2012-06-24 Michael ShirtsMerge "Fix mdp_opt formatting of expanded ensemble...
2012-06-22 Christoph JunghansMerge "Simple patch for openmm_wrapper.cpp" into releas...
2012-06-16 Erik LindahlNew CPU detection & AVX/SSE code, removed raw assembly...
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...
2012-05-29 Christoph JunghansMerge "Revised g_tune_pme" into release-4-6
2012-05-27 David van der SpoelMerge "added explicit sqrtf to the float version of...
2012-05-25 David van der SpoelMerge "grompp now retains the order of bonds converted...
2012-05-25 Christoph JunghansMerge "Fix that sigaction mask wasn't zeroed" into...
2012-05-24 Berk Hessnow mdrun always initializes MPI
2012-05-08 Roland SchulzFixing more Clang warnings
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
2012-04-23 Christoph JunghansMerge "compiler flag fixes" into release-4-6
2012-04-22 Roland SchulzMerge "enable command line option cheking in mdrun...
2012-04-17 Mark AbrahamAdded Windows-specific #defines, and use them
2012-04-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-16 Roland SchulzMerge release-4-5-patches into release-4-6
2012-02-29 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-02-23 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche...
2012-02-09 Szilard Pallrenamed GMX_THREADS to GMX_THREAD_MPI
2011-09-16 Erik LindahlMerge "made allocation for LINCS with particle decompos...
2011-09-13 Berk HessMerge "Remove segv in xpm2ps, fixes #611" into release...
2011-09-06 Mark AbrahamFix bug with large ints without MPI_IN_PLACE
2011-05-05 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2011-04-04 David van der SpoelMerge branch 'release-4-5-patches' into orderparm
2011-03-17 Sander PronkVarious fixes for Windows builds.
2011-03-16 Sander Pronkmdrun -multi, multidir and replica exchange now exchang...
2011-03-10 Sander PronkAdded more support for multidir.
2011-03-05 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs...
2011-03-03 Sander PronkReplaced strdups with gmx_strdups so that they can...
2011-01-30 David van der SpoelMerge branch 'release-4-5-patches' into orderparm
2010-11-18 David van der SpoelMade printing in check_multi_init conditional, dependin...
2010-11-05 Szilard PallMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-11-04 Berk HessFixed md.log being opened twice when appending, which...
2010-09-16 kylebChanged gmx_log_open to fix FAH Checkpointing; see...
2010-08-25 Rossen ApostolovRedefine the default boolean type to gmx_bool.
2010-08-23 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-22 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-22 Erik LindahlCleaned up all installed headers to remove strict depen...
2010-08-17 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-17 Michael ShirtsMerge branch 'release-4-5-patches' of git@git.gromacs...
2010-08-16 Berk Hessfixed fatal error in mdrun file appending with -multi...
2010-08-10 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2010-08-09 Berk Hessmade mdrun -seppot work with threads and -seppot now...
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2010-07-30 Erik LindahlReplaced non-thread-safe calls to ctime() with our...
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2010-07-30 Berkcommented out nthreads and threadid in t_commrec to...
2010-06-18 Gerrit GroenhofMerge branch 'master' into qmmm
2010-06-17 Maarten WolfMerge branch 'master' of git@git.gromacs.org:gromacs
2010-06-11 Sander PronkFixed an allocation error during thread spawns.
2010-06-11 Sander PronkMerge branch 'threadspawn'
2010-06-11 Sander PronkNumber of threads is now also determined by system...
2010-06-09 Gerrit GroenhofMerge branch 'master' into qmmm
2010-04-27 Berk Hessresolved merge conflicts
2010-04-04 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2010-03-21 Berkfixed compilation problem without thread support
2010-03-21 Sander PronkAuto-cancels threads for non-parallel integrators.
2010-03-02 Roland SchulzMerge branch 'release-4-0-patches'
2009-12-06 Erik LindahlMerge branch 'release-4-0-patches' of git.gromacs.org...
2009-12-05 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-10 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-09 BerkMerge branch 'release-4-0-patches' of git@git.gromacs...
2009-11-09 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs
2009-11-08 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-06 Berk Hessadded check for MPI support in init_multisystem
2009-11-06 Berk Hessadded check for MPI support in init_multisystem
2009-10-25 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-10-21 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2009-10-20 Roland Schulzmd5sum and locking for appending of files
2009-10-16 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-10-12 Sander PronkCleaned up parallel detection in pme & other places.
2009-10-06 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs
2009-10-06 Sander Pronkfixed minor initialization issues in pme and commrec.
2009-09-23 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-14 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-14 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2009-09-12 Roland SchulzMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-10 Sander PronkMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-10 Sander PronkAdded --disable-mpi-in-place option for crappy MPI...
2009-09-09 Michael ShirtsMerge branch 'master' of git://git.gromacs.org/gromacs
2009-08-30 kassonTool merge
2009-08-27 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-08-21 Sander PronkMerge branch 'thread_mpi'. Threads should work for...
2009-08-20 Sander Pronknewer thread_mpi: more documentation and better windows...
2009-08-19 unknownCompiles in MSVC with cmake
2009-08-19 Sander Pronkremoved *s files, improved cmake/configure thread detection
2009-08-19 Sander PronkAdded full thread_mpi library, it may even compile...
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