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Fix message about incorrect usage of dihedral type 9
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2014-08-25 Berk HessFixed bugs in vsiteN with OpenMP tree | commitdiff
2014-06-29 Roland SchulzFix detection of i386 in tmpi tree | commitdiff
2014-06-20 Roland SchulzFix that seeking was wrong if frame time was modified tree | commitdiff
2014-06-17 Berk HessRemoved rounding issue in nbnxn Ewald table tree | commitdiff
2014-06-13 Berk HessMade shells work with the Verlet scheme tree | commitdiff
2014-06-09 Rossen ApostolovFixed typo in description of conversion factors. tree | commitdiff
2014-06-05 Berk HessFixed shift and switch modifiers, particularly for... tree | commitdiff
2014-06-05 Berk HessFix constraint virial with multiple time stepping tree | commitdiff
2014-03-23 Berk HessFixed bug in parallel v/f constraining tree | commitdiff
2014-03-01 Mark AbrahamAdd fatal error for Andersen+constraints+DD tree | commitdiff
2014-02-21 Mark AbrahamReinstate shell code with DD tree | commitdiff
2014-02-08 Mark AbrahamIssue fatal errors rather than use broken shell code tree | commitdiff
2014-01-28 Mark AbrahamRemove unused fplog tree | commitdiff
2014-01-28 Mark AbrahamUnify logic for timing counts tree | commitdiff
2013-12-29 Peter KassonPatch for Native Client builds. tree | commitdiff
2013-11-26 Berk HessFixed return value of gmx_mtop_bondeds_free_energy tree | commitdiff
2013-11-13 Szilard PallClarified GPU selection output and mdrun help 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
2013-10-31 Berk Hessreorganized GPU detection and selection tree | commitdiff
2013-10-31 Mark AbrahamRename GMX_IS_* to GMX_TARGET_* tree | commitdiff
2013-10-26 Roland SchulzFix NBNxN SIMD reference kernels tree | commitdiff
2013-10-18 Mark AbrahamBlueGene/Q Verlet cut-off scheme kernels tree | commitdiff
2013-10-18 Roland SchulzFix tMPI_Atomic_memory_barrier for MIC 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
2013-10-11 Berk Hessintroduced general 4-wide SIMD support tree | commitdiff
2013-09-24 Berk Hessoptimized generic SIMD invsqrt tree | commitdiff
2013-09-21 Berk Hessfixed multiple distance restraints with OpenMP tree | commitdiff
2013-09-20 Mark AbrahamFix total time measurement with separate PME nodes 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 Mark AbrahamConsolidated NBNxN SIMD kernel utility routines tree | commitdiff
2013-08-05 Mark AbrahamFixed reference SIMD code to work with MSVC tree | commitdiff
2013-07-24 Berk Hessimplemented plain-C SIMD macros for reference tree | commitdiff
2013-07-01 Mark AbrahamCorrected definition of EEL_USER tree | commitdiff
2013-07-01 Sander PronkComprehensive hwinfo structure concurrency fix. tree | commitdiff
2013-06-25 Mark AbrahamFixed #include of header for atomics on K-computer tree | commitdiff
2013-06-25 Jeff HammondFix declaration that XLC rejected tree | commitdiff
2013-06-20 Michael ShirtsFixing a problem when dhdl and replex are not multiples tree | commitdiff
2013-06-20 Berk Hessflops table now reports CUDA analytical Ewald tree | commitdiff
2013-06-13 Mark AbrahamRemove unused variables tree | commitdiff
2013-05-27 Szilard Pallminor function argument cleanup tree | commitdiff
2013-05-27 Carsten KutznerCode cleanup in enforced rotation module, remove warnings. tree | commitdiff
2013-05-22 Mark AbrahamFix g_chi -omega tree | commitdiff
2013-05-21 Michael ShirtsFixed problem with bond constraint dhdl being left out tree | commitdiff
2013-05-21 Erik LindahlFujitsu Sparc64 acceleration and general fixes for... tree | commitdiff
2013-05-21 Sander PronkNew version of thread_mpi with many minor enhancements tree | commitdiff
2013-05-15 Christoph JunghansMerge "fixed incorrect scaling of cos-acceleration... tree | commitdiff
2013-05-10 Sander PronkMerge "Fixing handling of perturbation mass changes... tree | commitdiff
2013-05-10 Mark AbrahamMerge "Fixes "Function type U-B not implemented in... tree | commitdiff
2013-05-10 Mark AbrahamMerge "fixing rerun with free energy + .xtc or .gro... tree | commitdiff
2013-05-07 Mark AbrahamFix extant references to former GPL licensing tree | commitdiff
2013-04-30 Michael ShirtsFixing handling of perturbation mass changes. tree | commitdiff
2013-04-29 Mark AbrahamMerge "Update linking to MKL and document same" into... tree | commitdiff
2013-04-29 Mark AbrahamMerge "general SIMD acceleration for angles+dihedrals... tree | commitdiff
2013-04-29 Mark AbrahamMerge "PME load balancing now checks for PME grid restr... tree | commitdiff
2013-04-29 Berk Hessgeneral SIMD acceleration for angles+dihedrals tree | commitdiff
2013-04-29 Mark AbrahamMerge "Fixing a problem with dh/dl 1-4 interactions... tree | commitdiff
2013-04-26 Mark AbrahamMerge "CUDA PME kernels with analytical Ewald correctio... tree | commitdiff
2013-04-26 Berk HessPME load balancing now checks for PME grid restrictions tree | commitdiff
2013-04-26 Mark AbrahamMerge "improved load balancing with Verlet cut-off... tree | commitdiff
2013-04-26 Christoph JunghansMerge "v-rescale works with tau-t >= 0" into release-4-6 tree | commitdiff
2013-04-25 Mark AbrahamMerge "Merge branch 'release-4-5-patches'" into release-4-6 tree | commitdiff
2013-04-22 Mark AbrahamMerge "Use git snapshots of the tests if are on git... tree | commitdiff
2013-04-19 Teemu MurtolaMerge branch 'release-4-5-patches' tree | commitdiff
2013-04-18 Berk Hesschanged mdrun -nsteps to gmx_large_int_t tree | commitdiff
2013-04-16 David van der SpoelMerge "corrected grompp rvdw charge-group radii check... tree | commitdiff
2013-04-13 David van der SpoelMerge "added mdrun check for Verlet+perturbed atoms... tree | commitdiff
2013-04-12 Mark AbrahamMerge "removed x86 specifics from nbnxn SIMD kernels... tree | commitdiff
2013-03-27 Berk Hessremoved x86 specifics from nbnxn SIMD kernels tree | commitdiff
2013-03-26 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Minor fixes to Verlet kernels" into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Re-generated group kernels" into release-4-6 tree | commitdiff
2013-02-15 Mark AbrahamMerge "Unwinds flag dependencies in g_order." into... tree | commitdiff
2013-02-15 Mark AbrahamMerge "use legacy CUDA non-bonded kernels only on Fermi... tree | commitdiff
2013-02-15 Mark AbrahamMerge "More descriptive Verlet kernel macro parameter... tree | commitdiff
2013-02-15 Mark AbrahamMinor fixes to Verlet kernels tree | commitdiff
2013-02-15 Mark AbrahamMerge "Fix and add Verlet kernel error messages" into... tree | commitdiff
2013-02-13 Sander PronkMerge "Fix code bug with thread-MPI on PowerPC with... tree | commitdiff
2013-02-13 Roland SchulzMerge "improve setup of multiple tf tables" into releas... tree | commitdiff
2013-02-13 Mark AbrahamFix code bug with thread-MPI on PowerPC with xlc tree | commitdiff
2013-02-13 Roland SchulzMerge "Updated FindGSL.cmake to version written by... tree | commitdiff
2013-02-12 Mark AbrahamMerge "PME-only counters are now reset with -maxh ... tree | commitdiff
2013-02-12 Mark AbrahamMerge "fixed bug with sd integrator and OpenMP threadin... tree | commitdiff
2013-02-09 Roland SchulzMerge "Typo fix" into release-4-6 tree | commitdiff
2013-02-08 Mark AbrahamMerge "added back cuda.h includes to fix missing CUDA_V... tree | commitdiff
2013-02-08 Mark AbrahamMerge "Fixed flop counting for generic cg/adress kernel... tree | commitdiff
2013-02-02 Christoph JunghansFixed flop counting for generic cg/adress kernels tree | commitdiff
2013-02-01 Berk HessPME-only counters are now reset with -maxh -resethway tree | commitdiff
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data... tree | commitdiff
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2013-01-18 Roland SchulzCode beautification with uncrustify tree | commitdiff
2013-01-18 Berk Hessthread affinity now uses some topology information tree | commitdiff
2013-01-18 Mark AbrahamFixing copyright issues and code contributors tree | commitdiff
2013-01-17 Mark AbrahamMerge "Remove unnecessary ICC flags affecting performan... tree | commitdiff
2013-01-17 Mark AbrahamMerge "improved CUDA kernel performance by pre-loading... tree | commitdiff
2013-01-17 Christoph JunghansMerge "Added note about make_edi and flooding in ED... tree | commitdiff
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