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Merge branch release-4-6 into master
[alexxy/gromacs.git] / src /
2013-10-23 Mark AbrahamMerge branch release-4-6 into master 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
2013-09-19 Teemu MurtolaUniform code path for writing out console help. tree | commitdiff
2013-09-19 Teemu MurtolaFramework for help export from wrapper binary. tree | commitdiff
2013-09-18 Berk Hessmade free energy PME kernel 40% faster tree | commitdiff
2013-09-18 Mark AbrahamRemove forcefield-scan feature tree | commitdiff
2013-09-16 Berk Hessmdrun without OpenMP with thread-MPI now uses all cores tree | commitdiff
2013-09-13 Berk Hesscorrected grompp constraint/DOF warning with vsites tree | commitdiff
2013-09-13 Teemu MurtolaAdd option to build a standalone mdrun binary only. tree | commitdiff
2013-09-13 Teemu MurtolaMove mdrun into the wrapper binary. tree | commitdiff
2013-09-13 Teemu MurtolaMake parse_common_args() not exit. tree | commitdiff
2013-09-13 Teemu MurtolaRemove unused -man output formats. tree | commitdiff
2013-09-09 Teemu MurtolaMake gmx_ana_pos_t a C++ class. tree | commitdiff
2013-09-09 Teemu MurtolaAdd some legends to C++ tool output. tree | commitdiff
2013-09-08 Teemu MurtolaRemove duplicate .nr members from selection structs. tree | commitdiff
2013-09-08 Teemu MurtolaRemove gmx_ana_indexmap_t::bMapStatic. tree | commitdiff
2013-09-08 Teemu MurtolaMove gmx_ana_pos_t::g into gmx_ana_indexmap_t. tree | commitdiff
2013-09-06 Teemu MurtolaSupport for parallel data modules. tree | commitdiff
2013-09-05 Teemu MurtolaAbstractAnalysisData module handling into a separate... tree | commitdiff
2013-09-01 Teemu MurtolaMerge "Merge branch release-4-6 into master" tree | commitdiff
2013-08-30 David van der SpoelUpdated g_cluster tree | commitdiff
2013-08-30 Teemu MurtolaClean-up and improvements in C++ tools. tree | commitdiff
2013-08-25 Mark AbrahamSplit up Verlet SIMD kernels for faster compilation tree | commitdiff
2013-08-25 Mark AbrahamFix detection and suggestion in gmx_cpuid for IBM QPX tree | commitdiff
2013-08-25 Berk Hessintroduced nbnxn data structure for bounding boxes tree | commitdiff
2013-08-25 Mark AbrahamConsolidated NBNxN SIMD kernel utility routines tree | commitdiff
2013-08-25 Mark AbrahamFix minor wallcycle output issues tree | commitdiff
2013-08-25 Mark AbrahamFixed GMX_DD_DUMP_GRID tree | commitdiff
2013-08-24 Teemu MurtolaFine-tune copyright printing. tree | commitdiff
2013-08-24 Teemu Murtola[RFC] Really uniform startup path for all binaries. tree | commitdiff
2013-08-21 Teemu MurtolaStatistics for gmx-distance. tree | commitdiff
2013-08-21 Teemu MurtolaLifetime statistics into gmx-select. tree | commitdiff
2013-08-20 Mark AbrahamRemove OpenMM tree | commitdiff
2013-08-20 Berk Hessfixed parallel normal modes with PME tree | commitdiff
2013-08-16 Teemu MurtolaReplacement for g_bond and g_dist. tree | commitdiff
2013-08-11 Teemu MurtolaSupport for multiple analysis data sets in modules. tree | commitdiff
2013-08-11 Teemu MurtolaBase support for multiple analysisdata data sets. tree | commitdiff
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