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Fix message about incorrect usage of dihedral type 9
[alexxy/gromacs.git] / src / mdlib /
2014-09-09 Szilárd PállFix malformed CUDA version macro check tree | commitdiff
2014-08-28 Berk HessFixed two PME issues with MPI+OpenMP tree | commitdiff
2014-08-25 Berk HessFixed bugs in vsiteN with OpenMP tree | commitdiff
2014-08-02 Berk HessFixed PME bug with high OpenMP thread count tree | commitdiff
2014-06-24 Berk HessFixed the sign of mass perturbed contribution tree | commitdiff
2014-06-24 Erik LindahlFixed recent bug with disp.corr. and vdwtype=shift tree | commitdiff
2014-06-20 Berk HessFixed shells with particle decomposition tree | commitdiff
2014-06-19 Roland SchulzFix ref error in constraint pull code tree | commitdiff
2014-06-18 Erik LindahlFixed CMake 2.8.12+ CUDA dylib bugs and warnings on... tree | commitdiff
2014-06-17 Berk HessRemoved rounding issue in nbnxn Ewald table tree | commitdiff
2014-06-14 Berk HessFixed PME bug with #OpenMP-threads a large prime tree | commitdiff
2014-06-13 Berk HessMade shells work with the Verlet scheme tree | commitdiff
2014-06-12 Berk HessFixed perturbed wall interactions 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
2014-05-22 Mark AbrahamAdd fatal errors for VV and twin-range MTS tree | commitdiff
2014-05-20 Rossen ApostolovAdded a note about using direction-periodic pulling. tree | commitdiff
2014-05-20 Rossen ApostolovAdded a note about unsupported Verlet cutoff + Buckingham. tree | commitdiff
2014-04-29 Berk HessRemoved truncation of nrdf in v-rescale thermostat tree | commitdiff
2014-04-07 Erik LindahlMake sure water optimization is disabled for esoteric... tree | commitdiff
2014-03-24 Berk HessAdds cut-off checks for triclinic domain decomposition tree | commitdiff
2014-03-23 Berk HessFixed bug in parallel v/f constraining tree | commitdiff
2014-03-14 Carsten KutznerAvoid cross product with zero vector in rotational... tree | commitdiff
2014-03-01 Mark AbrahamAdd fatal error for Andersen+constraints+DD tree | commitdiff
2014-02-28 Szilard PallImproved CUDA non-bonded kernel performance tree | commitdiff
2014-02-21 Mark AbrahamReinstate shell code with DD tree | commitdiff
2014-02-20 Roland SchulzFix aligned store to unaligned memory tree | commitdiff
2014-02-08 Mark AbrahamIssue fatal errors rather than use broken shell code tree | commitdiff
2014-01-29 Mark AbrahamKeep clang Address Sanitizer happy tree | commitdiff
2014-01-28 Mark AbrahamRemove unused fplog tree | commitdiff
2014-01-28 Mark AbrahamUnify logic for timing counts tree | commitdiff
2013-12-25 Carsten KutznerEssential dynamics: move bNeedDoEdsam evaluation to... tree | commitdiff
2013-12-23 Carsten KutznerFixed essential dynamics (ED) continuation from .cpt... tree | commitdiff
2013-11-19 Szilárd PállFix DD load balancing bug with GPU sharing tree | commitdiff
2013-11-15 Berk Hesscorrected potential nbnxn SIMD memory issue 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 Hessremoved (harmless) left-over in nbnxn SIMD kernels 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
2013-10-22 Berk Hessfixed recent bug with CUDA texture objects tree | commitdiff
2013-10-18 Mark AbrahamBlueGene/Q Verlet cut-off scheme kernels 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
2013-10-15 Szilard Pallmake use of CUDA stream priorities 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 Berk Hessfixed nbnxn 4x8 pair search without AVX tree | commitdiff
2013-10-03 Christoph JunghansFix parallel build for GMX_BUILD_OWN_FFTW tree | commitdiff
2013-10-01 Mark AbrahamSilence clang warnings tree | commitdiff
2013-09-29 Szilard Pallallow compilation to optimize for CUDA compute cap... tree | commitdiff
2013-09-26 Michael Shirtslogic fix for free energies with mdrun -rerun tree | commitdiff
2013-09-25 Erik LindahlFix bug in (long) neighborlist SIMD padding when adding... 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 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
2013-08-20 Berk Hessfixed parallel normal modes with PME tree | commitdiff
2013-08-02 Michael ShirtsFixing problem caused by overflow in expanded ensemble. tree | commitdiff
2013-08-01 Mark AbrahamRefactored preparation of buffer for NBNxN table loads tree | commitdiff
2013-07-24 Berk Hessimplemented plain-C SIMD macros for reference tree | commitdiff
2013-07-24 Mark AbrahamRemoved buggy -seppot output tree | commitdiff
2013-07-11 Mark AbrahamFixed typos in #include guard #defines tree | commitdiff
2013-07-06 Christoph Junghansmore pkg-config fixes tree | commitdiff
2013-07-04 Christoph JunghansFixed some inconsistencies in pkg-config files tree | commitdiff
2013-07-01 Sander PronkComprehensive hwinfo structure concurrency fix. tree | commitdiff
2013-06-28 Justin LemkulMinor tweaks to qm_orca.c tree | commitdiff
2013-06-20 Berk Hessfixed SD and BD integrator OpenMP performance tree | commitdiff
2013-06-20 Berk Hessflops table now reports CUDA analytical Ewald tree | commitdiff
2013-06-05 Berk Hessfixed DD internal state corruption with energy minimization tree | commitdiff
2013-05-30 Szilárd Pállfix unnecessary switch to polling GPU wait tree | commitdiff
2013-05-30 Michael ShirtsFixing the constraint dhdl term in shake tree | commitdiff
2013-05-30 Mark AbrahamWork around for correct treatment of all-vs-all tree | commitdiff
2013-05-28 Carsten KutznerFixed calculation of slab buffer size for flexible... tree | commitdiff
2013-05-28 Carsten KutznerFix for a rare condition in flexible rotation potentials. 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
2013-05-26 Michael ShirtsFix of memory leak tree | commitdiff
2013-05-21 Michael ShirtsFixed problem with bond constraint dhdl being left out tree | commitdiff
2013-05-16 Carsten KutznerChoose the PBC image of each rotation group atom depending 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
2013-05-08 Berk Hessfixed incorrect scaling of cos-acceleration viscosity tree | commitdiff
2013-04-30 Michael ShirtsFixing handling of perturbation mass changes. tree | commitdiff
2013-04-29 Carsten KutznerEvaluate enforced rotation potenial with Verlet, fixes... 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
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