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alexxy/gromacs.git
2018-07-05 Roland SchulzFix compiler warnings in OCL commit | commitdiff | tree | snapshot
2018-07-04 Roland SchulzEnable more warnings for Clang 6 commit | commitdiff | tree | snapshot
2018-07-04 Roland SchulzFix ManageLmfit commit | commitdiff | tree | snapshot
2018-07-03 Roland SchulzFix post-submit issues commit | commitdiff | tree | snapshot
2018-07-03 Mark AbrahamFix clang CUDA build commit | commitdiff | tree | snapshot
2018-07-03 Roland SchulzChange ArrayRef::size_type to signed commit | commitdiff | tree | snapshot
2018-07-03 Berk HessConvert gmx_hash_t to C++ commit | commitdiff | tree | snapshot
2018-07-03 Roland Schulzclang-tidy: misc-misplaced-widening-cast commit | commitdiff | tree | snapshot
2018-07-03 Roland Schulzclang-tidy: misc-misplaced-const commit | commitdiff | tree | snapshot
2018-07-03 Roland Schulzclang-tidy: more misc+readability commit | commitdiff | tree | snapshot
2018-07-03 Berk HessLocalize variables in dd_redistribute_cg() commit | commitdiff | tree | snapshot
2018-07-02 Berk HessConvert DD DLB cell size handling to C++ commit | commitdiff | tree | snapshot
2018-07-02 Mark AbrahamRemove some pieces from forcerec.h commit | commitdiff | tree | snapshot
2018-07-02 Berk HessFix recent bug with 2D/3D DLB commit | commitdiff | tree | snapshot
2018-07-01 Roland SchulzEnable clang-tidy NullDereference commit | commitdiff | tree | snapshot
2018-07-01 Roland Schulzclang-tidy: readability-non-const-parameter (2/2) commit | commitdiff | tree | snapshot
2018-07-01 Berk HessRemoved smalloc.h from many DD files commit | commitdiff | tree | snapshot
2018-06-30 Roland Schulzclang-tidy: misc-string-compare+perf-value-param commit | commitdiff | tree | snapshot
2018-06-29 Roland Schulzclang-tidy: readability-non-const-parameter (1/2) commit | commitdiff | tree | snapshot
2018-06-29 Berk HessConvert gmx_domdec_constraints_t to C++ commit | commitdiff | tree | snapshot
2018-06-29 Berk HessConvert gmx_domdec_specat_comm_t to C++ commit | commitdiff | tree | snapshot
2018-06-29 Berk HessInitialize DD DLB variable commit | commitdiff | tree | snapshot
2018-06-29 Berk HessNew quote from a referee commit | commitdiff | tree | snapshot
2018-06-29 Roland Schulzclang-tidy: misc-suspicious-missing-comma commit | commitdiff | tree | snapshot
2018-06-29 Roland Schulzclang-tidy: add modernize nullptr & emplace commit | commitdiff | tree | snapshot
2018-06-29 Mark AbrahamNew quote from ISC2018 commit | commitdiff | tree | snapshot
2018-06-29 Roland Schulzclang-tidy: readibility redundant commit | commitdiff | tree | snapshot
2018-06-29 Roland Schulzclang-tidy: misleading-indentation+noexcept-move commit | commitdiff | tree | snapshot
2018-06-29 Roland Schulzclang-tidy: Enable bugprone-integer-division commit | commitdiff | tree | snapshot
2018-06-29 Roland SchulzAdd clang-tidy to pre-submit commit | commitdiff | tree | snapshot
2018-06-28 Berk HessRename atomGroups in gmx_domdec_t to atomGrouping commit | commitdiff | tree | snapshot
2018-06-28 Berk HessClean up dd_move_cellx() commit | commitdiff | tree | snapshot
2018-06-28 Berk HessConvert gmx_domdec_sort_t to C++ commit | commitdiff | tree | snapshot
2018-06-28 Berk HessChange BlockRanges to class RangePartitioning commit | commitdiff | tree | snapshot
2018-06-28 Roland Schulzclang-tidy: 4 readability checks commit | commitdiff | tree | snapshot
2018-06-28 Roland Schulzclang-tidy: performance-type-promotion-in-math-fn commit | commitdiff | tree | snapshot
2018-06-28 Roland SchulzClang-tidy: enable further tests commit | commitdiff | tree | snapshot
2018-06-27 Berk HessFix bug with 2D/3D triclinic DD commit | commitdiff | tree | snapshot
2018-06-27 Berk HessBase vacuum DD on atom coordinates commit | commitdiff | tree | snapshot
2018-06-27 Berk HessAdd consistency check to DDAtomRanges commit | commitdiff | tree | snapshot
2018-06-27 Berk HessPartial conversion of gmx_domdec_comm_t to C++ commit | commitdiff | tree | snapshot
2018-06-27 Berk HessTemplate and overload dd_sendrecv functions commit | commitdiff | tree | snapshot
2018-06-27 Berk HessCorrect DD zone size loop bound commit | commitdiff | tree | snapshot
2018-06-25 Aleksei IupinovMove vectype_ops.clh into gpu_utils commit | commitdiff | tree | snapshot
2018-06-25 Aleksei IupinovMove the PME GPU kernel launch functions into pme-gpu... commit | commitdiff | tree | snapshot
2018-06-25 Mark AbrahamTest both internal and external clFFT build in Jenkins commit | commitdiff | tree | snapshot
2018-06-25 Mark AbrahamFix unused variable warnings commit | commitdiff | tree | snapshot
2018-06-24 Roland SchulzAllow GMX_OCL_DEBUG for any vendor commit | commitdiff | tree | snapshot
2018-06-23 Roland Schulzclang-tidy: Enable most bugprone checks commit | commitdiff | tree | snapshot
2018-06-23 Roland SchulzAllow to enable clang-tidy with GMX_CLANG_TIDY commit | commitdiff | tree | snapshot
2018-06-22 Mark AbrahamUpdate energy and trajectory frame types commit | commitdiff | tree | snapshot
2018-06-14 Kevin BoydChanged documentation on common errors during minimization commit | commitdiff | tree | snapshot
2018-06-14 Berk HessMinimization now detects infinite forces commit | commitdiff | tree | snapshot
2018-06-14 Aleksei IupinovEnsure PME with OpenCL does not attempt to pin commit | commitdiff | tree | snapshot
2018-06-14 Berk HessIntroduced DDAtomRanges class commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamCall Constraints::setConstraints with other setup code commit | commitdiff | tree | snapshot
2018-06-13 Berk HessRemove LINCS prints to log file commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamUse initializer lists for Lincs and Task commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamUse more containers and views for constraints code commit | commitdiff | tree | snapshot
2018-06-13 Berk HessPartial conversion of gmx_domdec_t to C++ commit | commitdiff | tree | snapshot
2018-06-13 Mark AbrahamBump lmfit support to version 7 commit | commitdiff | tree | snapshot
2018-06-12 Mark AbrahamPrepare for GROMACS 2019 release notes commit | commitdiff | tree | snapshot
2018-06-12 David van der... Let gmx nmeig print thermochemistry. commit | commitdiff | tree | snapshot
2018-06-07 Paul BauerChange use of t_inpfile to std::vector commit | commitdiff | tree | snapshot
2018-06-07 Paul BauerRemove macros in input file reading commit | commitdiff | tree | snapshot
2018-06-07 Aleksei IupinovCompile most of PME GPU host code with OpenCL commit | commitdiff | tree | snapshot
2018-06-06 Berk HessClean up make_at2con commit | commitdiff | tree | snapshot
2018-06-06 Mark AbrahamMove IMD initialization and fuse DD setup commit | commitdiff | tree | snapshot
2018-06-06 Kevin BoydAdded to PME on GPU information in mdrun performance commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamMake proper BoxDeformation class commit | commitdiff | tree | snapshot
2018-06-05 Berk HessMake nbnxn_grid_t counts and sizes arrays commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamSeparate flexible constraint counting commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamMake Constraints a proper class commit | commitdiff | tree | snapshot
2018-06-04 Mark AbrahamUpdate Awh initialization and lifetime management commit | commitdiff | tree | snapshot
2018-06-04 Mark AbrahamRemove redundant shell-code fatal errors commit | commitdiff | tree | snapshot
2018-06-04 Szilárd PállFix timing of clFFT kernels commit | commitdiff | tree | snapshot
2018-06-04 Magnus LundborgWrite lambdas and box to TNG at correct intervals commit | commitdiff | tree | snapshot
2018-06-01 Kevin BoydCosmetic fixes to mdp documentation commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovMerge pme.cu into pme-gpu-internal.cpp commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovPME OpenCL 3D FFT transform is implemented, using clFFT commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovMove pme-timings.cu to pme-gpu-timings.cpp commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovPrefer linking to system clFFT rather than bundled one commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovMove the PmeGpuSpecific structure into pme-gpu-types... commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovAdded the bundled clFFT into OpenCL builds commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovAdd GpuEventSynchronizer class commit | commitdiff | tree | snapshot
2018-05-31 Aleksei IupinovGather the PME GPU constants/macros in a single header commit | commitdiff | tree | snapshot
2018-05-30 Aleksei IupinovMake PME GPU structures use DeviceBuffer commit | commitdiff | tree | snapshot
2018-05-30 Roland SchulzFix MSAN build-type and error commit | commitdiff | tree | snapshot
2018-05-29 Szilárd PállSwitch to CUDA 9.2 + gcc 7 commit | commitdiff | tree | snapshot
2018-05-28 Aleksei IupinovSupport persistent device context-derived data in PME... commit | commitdiff | tree | snapshot
2018-05-25 Mark AbrahamClean up force.h and its use commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamRemove bDomDec from t_forcerec commit | commitdiff | tree | snapshot
2018-05-24 Berk HessFix grompp bug with blocks of same molecules commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamMove responsibility for bonded threading decomposition commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamRelocate GPU initialization for PME commit | commitdiff | tree | snapshot
2018-05-24 Berk HessSimplify idef_fe in calc_listed_lambda commit | commitdiff | tree | snapshot
2018-05-24 Mark AbrahamReform Ewald-module cmake handling commit | commitdiff | tree | snapshot
2018-05-24 Berk HessChange nbs in nbv to std::unique commit | commitdiff | tree | snapshot
2018-05-24 Berk HessConvert gmx_domdec_master_t to C++ commit | commitdiff | tree | snapshot
2018-05-23 Mark AbrahamClean up PME testing commit | commitdiff | tree | snapshot
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