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Merge "Merge branch release-4-6"
[alexxy/gromacs.git] / src /
2013-11-15 Erik LindahlMerge "Merge branch release-4-6" tree | commitdiff
2013-11-15 Teemu MurtolaSimplify GMX_X11 handling. tree | commitdiff
2013-11-15 Mark AbrahamMerge branch release-4-6 tree | commitdiff
2013-11-13 Szilard PallClarified GPU selection output and mdrun help tree | commitdiff
2013-11-08 Berk Hessfix nbnxn atom sorting with distant bondeds tree | commitdiff
2013-11-07 Berk Hesscorrected dynamic load balancing when sharing GPUs tree | commitdiff
2013-11-06 Szilard Pallenable GPU sharing among tMPI ranks tree | commitdiff
2013-11-05 Berk HessGPU detection is done once per physical node tree | commitdiff
2013-11-05 Berk Hessremoved (harmless) left-over in nbnxn SIMD kernels tree | commitdiff
2013-11-01 Mark AbrahamAdded gmx_omp_nthreads_set for use in testing tree | commitdiff
2013-10-31 Berk Hessreorganized GPU detection and selection tree | commitdiff
2013-10-31 Mark AbrahamRename GMX_IS_* to GMX_TARGET_* tree | commitdiff
2013-10-31 Teemu MurtolaMove more timing routines into timing/. tree | commitdiff
2013-10-30 Mark AbrahamSilence warnings about scanner.cpp tree | commitdiff
2013-10-30 Alexey Shvetsovgromacs cpp: clean up -Wunused-parameter warnings tree | commitdiff
2013-10-30 Alexey Shvetsovnbnxn_kernels: Clean up -Wunused-parameter warnings tree | commitdiff
2013-10-30 Teemu MurtolaMarkup substitution through HelpWriterContext. tree | commitdiff
2013-10-30 Mark AbrahamMerge "Merge release-4-6 into master" tree | commitdiff
2013-10-30 Roland SchulzFix build with GMX_CYCLE_SUBCOUNTERS tree | commitdiff
2013-10-30 Roland SchulzMerge release-4-6 into master tree | commitdiff
2013-10-29 Alexey Shvetsovmdlib: Clean up -Wunused-parameter warnings tree | commitdiff
2013-10-29 Berk Hesscorrected volume with serial NPT replica exchange tree | commitdiff
2013-10-29 Mark AbrahamRenamed and removed last references to GMX_CRAY_XT3 tree | commitdiff
2013-10-29 Magnus LundborgFixed memory leak in gmxdump. tree | commitdiff
2013-10-28 Berk Hessimproved the nbnxn buffer size estimate with GPUs tree | commitdiff
2013-10-28 Teemu MurtolaOverview Doxygen pages for analysis framework. tree | commitdiff
2013-10-28 Teemu MurtolaSome overview content for Doxygen documentation. tree | commitdiff
2013-10-28 Teemu MurtolaMisc. Doxygen updates for src/gromacs/utility/. tree | commitdiff
2013-10-28 Mark AbrahamCreate fileio module tree | commitdiff
2013-10-28 Teemu MurtolaSimplify code structure for C++ analysis tools tree | commitdiff
2013-10-26 Roland SchulzFix NBNxN SIMD reference kernels tree | commitdiff
2013-10-26 Mark AbrahamEncapsulate gmx_wallclock_accounting_t into new timing... tree | commitdiff
2013-10-26 Mark AbrahamCleaned up run time measurement tree | commitdiff
2013-10-26 Mark AbrahamAdded documentation for gmx_runtime_t struct tree | commitdiff
2013-10-23 Mark AbrahamMerge branch release-4-6 into master tree | commitdiff
2013-10-22 Berk Hessfixed recent bug with CUDA texture objects tree | commitdiff
2013-10-22 Berk Hessfixed OpenMP threads being pinned to the same cores tree | commitdiff
2013-10-18 Teemu MurtolaUpgrade layout file to support Doxygen >=1.8. tree | commitdiff
2013-10-18 Mark AbrahamBlueGene/Q Verlet cut-off scheme kernels tree | commitdiff
2013-10-17 Mark AbrahamMove mdrun trajectory writing into wrapper function tree | commitdiff
2013-10-17 Mark AbrahamFix typo in g_membed documentation tree | commitdiff
2013-10-17 Roland SchulzFix SIMD C reference nbnxn kernels tree | commitdiff
2013-10-17 Michael ShirtsRestarting from checkpoint no longer reinitializes... tree | commitdiff
2013-10-16 Teemu MurtolaRemove latex help export. tree | commitdiff
2013-10-16 Berk Hessavoid division by zero in SIMD angles and dihedrals tree | commitdiff
2013-10-16 Michael Shirtsturning off expanded ensemble for all integrators but... tree | commitdiff
2013-10-16 Berk Hessfixed a half bin misalignment in gmx_vanhove -or tree | commitdiff
2013-10-16 Michael ShirtsFixes a problem with pair type 2 interactions with... tree | commitdiff
2013-10-15 Szilard Pallmake use of CUDA stream priorities tree | commitdiff
2013-10-15 Teemu MurtolaFix/improve installation directory logic. tree | commitdiff
2013-10-14 Szilard Palluse CUDA texture objects when supported tree | commitdiff
2013-10-11 Berk Hessintroduced general 4-wide SIMD support tree | commitdiff
2013-10-10 Mark AbrahamIntroduced MPI initialization counter tree | commitdiff
2013-10-10 Berk Hessfixed nbnxn 4x8 pair search without AVX tree | commitdiff
2013-10-08 Mark AbrahamRemove some unused variables from MD loop tree | commitdiff
2013-10-07 Teemu MurtolaImprove markup substitution in HelpWriterContext. tree | commitdiff
2013-10-07 Teemu MurtolaHTML export from the wrapper binary. tree | commitdiff
2013-10-04 Mark AbrahamFurther consolidation of commrec initialization tree | commitdiff
2013-10-04 Mark AbrahamMore consolidation of MPI initialization tree | commitdiff
2013-10-03 Teemu MurtolaRemove unused shift_util.c. tree | commitdiff
2013-10-03 Teemu MurtolaImprove diagnostics with empty selections. tree | commitdiff
2013-10-03 Teemu MurtolaMan page export from the wrapper binary. tree | commitdiff
2013-10-03 Christoph JunghansFix parallel build for GMX_BUILD_OWN_FFTW tree | commitdiff
2013-10-03 Teemu MurtolaUse filenm.c data for FileNameOption. tree | commitdiff
2013-10-03 Teemu MurtolaFix warnings with Doxygen 1.8.5. tree | commitdiff
2013-10-02 Berk HessFixes reaction field free energy bug tree | commitdiff
2013-10-01 Mark AbrahamBroke some useless dependencies tree | commitdiff
2013-10-01 Mark AbrahamSplit MPI initialization from t_commrec construction tree | commitdiff
2013-10-01 Mark AbrahamSilence clang warnings tree | commitdiff
2013-09-30 David van der SpoelChange name of gmxdump to dump and gmxcheck to check tree | commitdiff
2013-09-29 Szilard Pallallow compilation to optimize for CUDA compute cap... tree | commitdiff
2013-09-29 Teemu MurtolaRemove obsolete efHAT and src/ngmx/dlgtest. tree | commitdiff
2013-09-29 David van der SpoelFixes bug in processing virtual_sitesn in grompp. tree | commitdiff
2013-09-29 Jarvist Moore FrostCorrected info text. -center --> -boxcenter tree | commitdiff
2013-09-28 Teemu MurtolaUse git version info in Doxygen. tree | commitdiff
2013-09-27 Manuel LuitzFixed limitations in g_cluster tree | commitdiff
2013-09-26 Michael Shirtslogic fix for free energies with mdrun -rerun tree | commitdiff
2013-09-26 Christoph JunghansDrop md5sum check for GMX_BUILD_OWN_FFTW tree | commitdiff
2013-09-26 Mark AbrahamUn-duplicate gmx_gettime code tree | commitdiff
2013-09-26 Teemu MurtolaMerge "Merge branch release-4-6" tree | commitdiff
2013-09-26 Mark AbrahamMerge branch release-4-6 tree | commitdiff
2013-09-26 Alexey Shvetsovg_tune_pme: Clean up -Wunused-parameter warnings tree | commitdiff
2013-09-26 Alexey Shvetsovprograms: clean up -Wunused-parameter warnings tree | commitdiff
2013-09-26 Mark AbrahamRemove mdrun -ionize feature tree | commitdiff
2013-09-26 Mark AbrahamRemove General Coupling Theory stuff tree | commitdiff
2013-09-26 Teemu Murtolathread_mpi: Clean up -Wunused-parameter warnings. tree | commitdiff
2013-09-25 Erik LindahlFix bug in (long) neighborlist SIMD padding when adding... tree | commitdiff
2013-09-24 Teemu MurtolaRemove src/contrib/prfn.c and related code. tree | commitdiff
2013-09-23 Teemu MurtolaMerge "Merge branch 'release-4-6'" tree | commitdiff
2013-09-23 Teemu MurtolaRemove obsolete tools. tree | commitdiff
2013-09-21 Berk Hessfixed multiple distance restraints with OpenMP tree | commitdiff
2013-09-21 David van der SpoelMoved ngmx to C++, renamed it to view. tree | commitdiff
2013-09-20 Mark AbrahamRemove repeat sfree(state->nosehoover_xi) tree | commitdiff
2013-09-20 Mark AbrahamMerge branch 'release-4-6' tree | commitdiff
2013-09-20 Mark AbrahamDescribed another way g_tune_pme might reasonably fail tree | commitdiff
2013-09-20 Mark AbrahamFix total time measurement with separate PME nodes tree | commitdiff
2013-09-20 Teemu MurtolaCMake cleanup. tree | commitdiff
2013-09-20 Teemu MurtolaMerge branch 'release-4-6' tree | commitdiff
2013-09-19 Mark AbrahamFixed reading history_t from checkpoint tree | commitdiff
2013-09-19 Mark AbrahamFixed g_tune_pme assumption that MPI is available tree | commitdiff
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