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Vibration spectra from velocity ACF or Normal modes.
[alexxy/gromacs.git] / include /
2012-02-09 Szilard Pallrenamed GMX_THREADS to GMX_THREAD_MPI tree | commitdiff
2012-02-08 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-08 Christoph JunghansMerge "fixed confusing nonbonded kernel pointer initial... tree | commitdiff
2012-02-03 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2012-02-03 David van der SpoelMerge "Improved the accuracy of the sd1 integrator... tree | commitdiff
2012-02-02 Szilárd PállMerge "Merges in threading branch as one squashed commi... tree | commitdiff
2012-02-02 Roland SchulzMerges in threading branch as one squashed commit tree | commitdiff
2012-02-02 Teemu MurtolaMerge "Revert "Fix ICC on Windows Build"" into release... tree | commitdiff
2012-02-01 David van der SpoelMerge "g_sans - tool to compute SANS spectra" into... tree | commitdiff
2012-02-01 Christoph JunghansMerge "Fix signed/unsigned warnings" into release-4... tree | commitdiff
2012-01-31 David van der SpoelMerge "Fix ICC on Windows Build" into release-4-5-patches tree | commitdiff
2012-01-25 Alexey Shvetsovg_sans - tool to compute SANS spectra tree | commitdiff
2012-01-25 Roland SchulzMerge "Merge release-4-5-patches into release-4-6"... tree | commitdiff
2012-01-25 Roland SchulzMerge "New approach for GerritBuild script" into releas... tree | commitdiff
2012-01-25 Berk HessMerge "Added two new bonded functions." into release-4-6 tree | commitdiff
2012-01-25 David van der SpoelAdded two new bonded functions. tree | commitdiff
2012-01-24 Sebastian FritschMerge "document AdResS mdp options" into release-4-6 tree | commitdiff
2012-01-23 Carsten KutznerNew tool that extracts dye dynamics from trajectories tree | commitdiff
2012-01-20 David van der SpoelMerge "Fixed timing measurements." into release-4-5... tree | commitdiff
2012-01-19 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-01-16 Sander PronkThread affinity and x86 assembly fixes for thread_mpi tree | commitdiff
2012-01-15 Christoph JunghansMerge "Added CMake Toolchain file for BlueGene/P" into... tree | commitdiff
2012-01-13 Roland SchulzMerge "Fixed MSVC compiling with plug-in support" into... tree | commitdiff
2012-01-10 Christoph JunghansAdds AdResS feature to gromacs tree | commitdiff
2012-01-10 Mark AbrahamFixed use of isfinite and _isfinite tree | commitdiff
2011-12-26 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2011-12-20 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2011-12-19 Carsten KutznerEnforced rotation tree | commitdiff
2011-12-14 Roland SchulzMerge "Re-fixed static linking of maths libraries under... tree | commitdiff
2011-12-13 Roland SchulzMerge "Converted macro usage for readability" into... tree | commitdiff
2011-12-13 Roland SchulzMerge "Relaxed some assumptions about trajectory times... tree | commitdiff
2011-12-13 Mark AbrahamRelaxed some assumptions about trajectory times tree | commitdiff
2011-12-12 Mark AbrahamFixed macros that ended in semicolons tree | commitdiff
2011-12-11 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2011-12-08 Roland SchulzMerge "Added an option to easily compile contrib progra... tree | commitdiff
2011-11-30 Roland SchulzMerge "Merge remote-tracking branch 'gerrit/release... tree | commitdiff
2011-11-27 Roland SchulzMerge "Fixes inconsistent spelling of Git cmake variabl... tree | commitdiff
2011-11-27 Roland SchulzMerge remote-tracking branch 'gerrit/release-4-5-patche... tree | commitdiff
2011-11-27 Roland SchulzMerge "Replace '_' in all mdp options to '-'" into... tree | commitdiff
2011-11-27 Roland SchulzMerge "Cleaning up some bad coding practices" into... tree | commitdiff
2011-11-27 Roland SchulzMerge "Added support for submission to cdash servers... tree | commitdiff
2011-11-25 Roland SchulzMerge "Changed cryptic variable names" into release-4-6 tree | commitdiff
2011-11-25 Roland SchulzCleaning up some bad coding practices tree | commitdiff
2011-11-25 Mark AbrahamChanged cryptic variable names tree | commitdiff
2011-11-08 Christoph JunghansMerge "Fixed bug #830 (segv in do_dssp)" into release... tree | commitdiff
2011-11-08 KassonMerge "Fix for GB, double, SSE2 and optimized kernels... tree | commitdiff
2011-10-27 Mark AbrahamMade reading of binary matrices more robust tree | commitdiff
2011-10-20 Christoph JunghansMerge "Changed default value for g_anaeig -last to... tree | commitdiff
2011-10-20 Christoph JunghansMerge "Add CMakeLists.txt.user to gitignore" into relea... tree | commitdiff
2011-10-15 Christoph JunghansMerge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6 tree | commitdiff
2011-10-11 Roland SchulzFixes MPI_GROUP_EMPTY for tMPI tree | commitdiff
2011-09-27 Mark AbrahamRemoved autotools and references to them. tree | commitdiff
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
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