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Updated version: now 4.6
[alexxy/gromacs.git] / include /
2011-09-19 Rossen ApostolovMerge "Resolved gerrit issue https://gerrit.gromacs... tree | commitdiff
2011-09-19 David van der SpoelResolved gerrit issue https://gerrit.gromacs.org/#chang... tree | commitdiff
2011-09-16 Erik LindahlMerge "made allocation for LINCS with particle decompos... tree | commitdiff
2011-09-13 Berk HessMerge "Remove segv in xpm2ps, fixes #611" into release... tree | commitdiff
2011-09-06 Mark AbrahamFix bug with large ints without MPI_IN_PLACE tree | commitdiff
2011-09-05 Michael ShirtsMerge "fixed incorrect pV term in the energy file"... tree | commitdiff
2011-08-29 Berk Hessfixed incorrect pV term in the energy file tree | commitdiff
2011-08-12 Berk Hessimplemented full exclusion support for the charge-group... tree | commitdiff
2011-07-11 Carsten KutznerAdded two missing headers tree | commitdiff
2011-07-06 Carsten KutznerAdded globsig.h to include/types/Makefile.am tree | commitdiff
2011-07-01 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-06-10 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-06-08 Sander PronkAdded support for SunCC on Solaris/SPARC. tree | commitdiff
2011-05-31 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-05-23 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-05-06 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-05-05 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2011-04-21 Erik MarklundMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-04-21 Sander PronkAdded prototypes for functions in md_support.c to mdrun.h tree | commitdiff
2011-04-21 David van der SpoelFirst version of a Density of States analysis tool. tree | commitdiff
2011-04-20 Sander PronkRevert "NUMA aware memory allocators get called (for... tree | commitdiff
2011-04-20 Sander PronkNUMA aware memory allocators get called (for Windows). tree | commitdiff
2011-04-20 Sander PronkNew thread_mpi library, with NUMA aware allocator for... tree | commitdiff
2011-04-14 Mark AbrahamMoved various support functions for do_md into mdlib tree | commitdiff
2011-04-14 Mark AbrahamMoved iterated-constraints code into mdlib tree | commitdiff
2011-04-14 Mark AbrahamMoved heuristic neighbor-list code into mdlib tree | commitdiff
2011-04-14 Mark AbrahamFixed code duplication tree | commitdiff
2011-04-14 Mark AbrahamFixed header #ifndef test tree | commitdiff
2011-04-11 Justin A. LemkulMade g_protonate (partially) work. tree | commitdiff
2011-04-06 David van der SpoelFixed header for gmx_conect_init tree | commitdiff
2011-04-04 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-04-04 David van der SpoelMade new programs compile with gcc -pedantic. tree | commitdiff
2011-04-04 David van der SpoelMerge branch 'release-4-5-patches' into orderparm tree | commitdiff
2011-03-30 Mark AbrahamSuppressed Cygwin C-only compiler warnings tree | commitdiff
2011-03-16 Sander Pronkmdrun -multi, multidir and replica exchange now exchang... tree | commitdiff
2011-03-10 Sander PronkAdded more support for multidir. tree | commitdiff
2011-02-11 Mark AbrahamRemoved ancient CVS tag lines tree | commitdiff
2011-02-04 Roland Schulzusing set_mm_ps to make pgi happy tree | commitdiff
2011-01-30 David van der SpoelMerge branch 'release-4-5-patches' into orderparm tree | commitdiff
2011-01-29 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-01-28 Mark AbrahamTurned g_options into a normal GROMACS tool tree | commitdiff
2011-01-26 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-01-25 Mark AbrahamRelocated some t_matrix documentation tree | commitdiff
2010-11-19 Sander PronkFixed TMPI_WAIT_FOR_NO_ONE deadlock. tree | commitdiff
2010-11-02 Berk Hessproper defined of MAX_CHARGEGROUP_SIZE=32 in a single... tree | commitdiff
2010-11-02 hessfixed incorrect y result in mvmul_ur0, only used in... tree | commitdiff
2010-10-30 Sander PronkAdded Windows macro for snprintf. tree | commitdiff
2010-10-28 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-10-28 Berk Hessfixed pdb2gmx chain merging bug (bugzilla 544) tree | commitdiff
2010-10-19 Per LarssonReplaced _mm_castsi128_pd with gmx_mm_castsi128_pd... tree | commitdiff
2010-10-18 Teemu MurtolaUse CMake install for install-mdrun (bugs #549, #555) tree | commitdiff
2010-10-11 Roland Schulzfixed spelling tree | commitdiff
2010-10-09 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-10-08 Berk Hessfixed combination of tpic with pme, pme mesh energy... tree | commitdiff
2010-09-23 Mark AbrahamFixes for g_chi for bugzilla 569, so that it now uses... tree | commitdiff
2010-09-23 Mark AbrahamExtensions to the gmx_residuetypes_t API to meet the... tree | commitdiff
2010-09-20 Per LarssonChanges to GB non-polar solvation calculations tree | commitdiff
2010-09-17 Sander PronkCheckpoints backward-compatible + more consistency... tree | commitdiff
2010-09-16 David van der SpoelCorrected name of one of the developers listed in header. tree | commitdiff
2010-09-15 Sander PronkMore scheduler-friendly locks for gmxfio tree | commitdiff
2010-09-10 Berk Hessmade sure the energy history from a checkpoint file... tree | commitdiff
2010-09-09 Berk Hessadded SSE overflow check for TPI tree | commitdiff
2010-09-09 Gerrit Groenhofadded environment variable to run orca in parallel tree | commitdiff
2010-09-03 Sander PronkAdded missing windows thread files to distribution... tree | commitdiff
2010-09-01 Erik LindahlAdded Gerrit to the list of authors. Sorry for forgetti... tree | commitdiff
2010-09-01 Sander PronkAdded support for PGI atomics in thread_mpi. tree | commitdiff
2010-09-01 Sander PronkFinal thread_mpi fixes (ppc works, no deadlocks on... tree | commitdiff
2010-08-31 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-31 Erik LindahlAdded final newline to avoid compiler warning in sfactor.h tree | commitdiff
2010-08-31 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-31 Sander PronkMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-31 Sander PronkFixed memory ordering issue on ppc with gcc&xlc. tree | commitdiff
2010-08-31 Szilard PallMerge branch 'release-4-5-patches' of git://git.gromacs... tree | commitdiff
2010-08-31 Sander Pronkthread_mpi fixes: gcc works on power7, xlc still does... tree | commitdiff
2010-08-30 Teemu MurtolaCosmetic fix to include/CMakeLists.txt. tree | commitdiff
2010-08-29 Sander PronkMade the dhdl_derivatives option do something when... tree | commitdiff
2010-08-27 Erik LindahlAdded longer list of authors... tree | commitdiff
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-27 Christoph Junghansadded a missing include to sighandler.h tree | commitdiff
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-26 Erik LindahlModified pdb2gmx to automatically pick the force field... tree | commitdiff
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-26 Erik Lindahltrue/false input settings should be called bool instead... tree | commitdiff
2010-08-26 Sander PronkFree energy writing to ener.edr and four new options... tree | commitdiff
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-26 Erik LindahlRevert "Made pdb2gmx be slightly more helpful when... tree | commitdiff
2010-08-25 Erik LindahlFixed include path in vmdio.h tree | commitdiff
2010-08-25 Erik LindahlForgot to actually do the char->int change... tree | commitdiff
2010-08-25 Erik LindahlChanged bool to signed integer instead of unsigned... tree | commitdiff
2010-08-25 Rossen ApostolovRedefine the default boolean type to gmx_bool. tree | commitdiff
2010-08-25 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-25 Mark AbrahamMade pdb2gmx be slightly more helpful when using AMBER... tree | commitdiff
2010-08-24 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-24 Sander PronkAnother try with xlc/ppc atomics.. tree | commitdiff
2010-08-24 Berk Hessfixed pdb2gmx behavior for nearly matching residue... tree | commitdiff
2010-08-23 Sander PronkModified memory barrier on ppc/xlc. tree | commitdiff
2010-08-23 Sander PronkEnabled gcc atomic intrinsics for gcc on ppc. tree | commitdiff
2010-08-23 Sander PronkMore xlc ppc changes to thread_mpi tree | commitdiff
2010-08-23 Christoph Junghansfixed 2 typos in headers tree | commitdiff
2010-08-23 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
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