alexxy/gromacs.git
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types
2018-08-07 M. Eric IrrgangAdd some developer help to Developer Guide.
2018-08-07 Paul BauerRemove duplicate entry for Doxygen from dev manual
2018-08-07 Christian BlauLocal atom sets in compEL / ion swapping code.
2018-08-07 Roland SchulzFix clang-tidy MPI warnings
2018-08-06 Roland SchulzChange gmx_bool from int to bool
2018-08-06 Roland SchulzDisable FPE for GCC 7.* with optimizations
2018-08-05 Mark AbrahamReform enforced rotation working data
2018-08-04 Roland Schulzclang-tidy: modernize make-unique/shared
2018-08-04 Kevin BoydSupport hwloc 2.x.x
2018-08-04 Christian BlauSplit essential dynamics reading routine
2018-08-01 M. Eric IrrgangRemove extraneous gitignore line.
2018-07-31 Mark AbrahamClean up inputrec structs
2018-07-30 Szilárd PállMove out OpenCL device utils from vectype ops
2018-07-30 Joe Jordanremove most debug flags from gmxpreprocess
2018-07-30 Aleksei IupinovRemove hardcoded warp_size == 32 assumption from PME GPU
2018-07-30 Roland SchulzDisable FPEs at end of runner
2018-07-24 Paul BauerChange manual section on restarts w/o checkpoint
2018-07-18 Berk HessApply local atom sets in pull code
2018-07-17 Mark AbrahamUpdate clang static analyzer to version 6
2018-07-17 Joe Jordanchange gmx_bool to bool in gmxpreprocess
2018-07-17 Christian BlauLocal atom set handling during simulations.
2018-07-16 Roland SchulzFix Windows+Intel
2018-07-16 Christian BlauAdd LocalAtomSet for handling atom indices.
2018-07-16 Mark AbrahamUpdated infrastructure for comparing mdrun output in...
2018-07-16 Roland SchulzWarn for type mismatch for gmx printf like functions 1/3
2018-07-16 Mark AbrahamReplacement for pdb2gmx tests
2018-07-16 Roland SchulzEnable debug FP exceptions without TPI, not with TPI
2018-07-14 Roland SchulzMSVC: enable code analysis
2018-07-12 Roland SchulzFix clang-tidy cmake messages
2018-07-12 Roland SchulzFix attribute usage
2018-07-12 Roland SchulzTemporary disable armhpc-18.2
2018-07-12 Roland SchulzRequire ICC 17.0.1
2018-07-12 Mark AbrahamBump minimum MSVC version to 2017
2018-07-11 Roland Schulzclang: undefined-reinterpret-cast, comma, extra-semi
2018-07-11 Roland SchulzFix custom build types with cmake 3.11
2018-07-11 Roland SchulzClang warnings
2018-07-11 Mark AbrahamSplit TopologyInformation into its own header
2018-07-10 Mark AbrahamAdd infrastructure for tools cleanup
2018-07-10 Roland SchulzClang warnings: unreachable
2018-07-08 Mark AbrahamClarify the implementation of selection -ofpdb output
2018-07-06 Mark AbrahamUse fewer gcc-4.8 configurations
2018-07-06 Mark AbrahamFix warnings in internal xdr code
2018-07-06 Mark AbrahamMerge "Merge release-2018 into master"
2018-07-06 Roland SchulzFix AVX_512_KNL
2018-07-05 Roland SchulzFix compiler warnings in OCL
2018-07-04 Roland SchulzMerge release-2018 into master
2018-07-04 Roland SchulzEnable more warnings for Clang 6
2018-07-04 Roland SchulzFix ManageLmfit
2018-07-03 Roland SchulzFix post-submit issues
2018-07-03 Mark AbrahamFix clang CUDA build
2018-07-03 Roland SchulzChange ArrayRef::size_type to signed
2018-07-03 Berk HessConvert gmx_hash_t to C++
2018-07-03 Roland Schulzclang-tidy: misc-misplaced-widening-cast
2018-07-03 Roland Schulzclang-tidy: misc-misplaced-const
2018-07-03 Roland Schulzclang-tidy: more misc+readability
2018-07-03 Berk HessLocalize variables in dd_redistribute_cg()
2018-07-02 Berk HessConvert DD DLB cell size handling to C++
2018-07-02 Mark AbrahamRemove some pieces from forcerec.h
2018-07-02 Berk HessFix recent bug with 2D/3D DLB
2018-07-01 Roland SchulzEnable clang-tidy NullDereference
2018-07-01 Roland Schulzclang-tidy: readability-non-const-parameter (2/2)
2018-07-01 Berk HessRemoved smalloc.h from many DD files
2018-06-30 Roland Schulzclang-tidy: misc-string-compare+perf-value-param
2018-06-29 Roland Schulzclang-tidy: readability-non-const-parameter (1/2)
2018-06-29 Berk HessConvert gmx_domdec_constraints_t to C++
2018-06-29 Berk HessConvert gmx_domdec_specat_comm_t to C++
2018-06-29 Berk HessInitialize DD DLB variable
2018-06-29 Berk HessNew quote from a referee
2018-06-29 Roland Schulzclang-tidy: misc-suspicious-missing-comma
2018-06-29 Roland Schulzclang-tidy: add modernize nullptr & emplace
2018-06-29 Mark AbrahamNew quote from ISC2018
2018-06-29 Roland Schulzclang-tidy: readibility redundant
2018-06-29 Roland Schulzclang-tidy: misleading-indentation+noexcept-move
2018-06-29 Roland Schulzclang-tidy: Enable bugprone-integer-division
2018-06-29 Roland SchulzAdd clang-tidy to pre-submit
2018-06-28 Berk HessRename atomGroups in gmx_domdec_t to atomGrouping
2018-06-28 Berk HessClean up dd_move_cellx()
2018-06-28 Berk HessConvert gmx_domdec_sort_t to C++
2018-06-28 Berk HessChange BlockRanges to class RangePartitioning
2018-06-28 Roland Schulzclang-tidy: 4 readability checks
2018-06-28 Roland Schulzclang-tidy: performance-type-promotion-in-math-fn
2018-06-28 Roland SchulzClang-tidy: enable further tests
2018-06-27 Berk HessFix bug with 2D/3D triclinic DD
2018-06-27 Berk HessBase vacuum DD on atom coordinates
2018-06-27 Berk HessAdd consistency check to DDAtomRanges
2018-06-27 Berk HessPartial conversion of gmx_domdec_comm_t to C++
2018-06-27 Berk HessTemplate and overload dd_sendrecv functions
2018-06-27 Berk HessCorrect DD zone size loop bound
2018-06-25 Aleksei IupinovMove vectype_ops.clh into gpu_utils
2018-06-25 Aleksei IupinovMove the PME GPU kernel launch functions into pme-gpu...
2018-06-25 Mark AbrahamTest both internal and external clFFT build in Jenkins
2018-06-25 Mark AbrahamFix unused variable warnings
2018-06-24 Roland SchulzAllow GMX_OCL_DEBUG for any vendor
2018-06-23 Roland Schulzclang-tidy: Enable most bugprone checks
2018-06-23 Roland SchulzAllow to enable clang-tidy with GMX_CLANG_TIDY
2018-06-22 Mark AbrahamUpdate energy and trajectory frame types
2018-06-14 Mark AbrahamUpdated to prepare for 2018.3 release
2018-06-14 Mark AbrahamVersion 2018.2
2018-06-14 Kevin BoydChanged documentation on common errors during minimization
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