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alexxy/gromacs.git
2018-08-18 Roland SchulzEnable clang tidy/warnings for tests commit | commitdiff | tree | snapshot
2018-08-17 Berk HessMake pull pbc atom use LocalAtomSet commit | commitdiff | tree | snapshot
2018-08-14 Paul BauerUpdated links in user guide commit | commitdiff | tree | snapshot
2018-08-14 Roland SchulzFix int/bool bugs commit | commitdiff | tree | snapshot
2018-08-14 Joe JordanAdd chainsep and merge tests for pdb2gmx commit | commitdiff | tree | snapshot
2018-08-14 Roland SchulzRemove BasicVector.as_vec commit | commitdiff | tree | snapshot
2018-08-13 Roland SchulzRemove code duplication in trajana/modules/trajectory commit | commitdiff | tree | snapshot
2018-08-13 Roland SchulzRemove cppcheck commit | commitdiff | tree | snapshot
2018-08-13 Roland SchulzFix MSD commit | commitdiff | tree | snapshot
2018-08-12 Roland Schulz3/3 of old-style casting commit | commitdiff | tree | snapshot
2018-08-12 Roland SchulzAdd _real user defined literal commit | commitdiff | tree | snapshot
2018-08-11 Roland SchulzEnable clang-tidy for headers commit | commitdiff | tree | snapshot
2018-08-10 Roland SchulzAvoid using global variables in programs commit | commitdiff | tree | snapshot
2018-08-10 Kevin BoydAdded physical validation document to the dev manual. commit | commitdiff | tree | snapshot
2018-08-09 Christian BlauRemove Debug Helpers from Essential Dynamics code. commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauLocal atom sets in rotational pulling. commit | commitdiff | tree | snapshot
2018-08-08 Roland Schulz2/3 of old-style casting commit | commitdiff | tree | snapshot
2018-08-08 M. Eric IrrgangEnable ccache compiler wrapper when available. commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauEssential dynamics functions use const-ref for input... commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauSplit essential dynamics eigenvector reading. commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauMake essential dynamics a C++ type. commit | commitdiff | tree | snapshot
2018-08-08 Roland SchulzFix part of old-style casting commit | commitdiff | tree | snapshot
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types commit | commitdiff | tree | snapshot
2018-08-07 M. Eric IrrgangAdd some developer help to Developer Guide. commit | commitdiff | tree | snapshot
2018-08-07 Paul BauerRemove duplicate entry for Doxygen from dev manual commit | commitdiff | tree | snapshot
2018-08-07 Christian BlauLocal atom sets in compEL / ion swapping code. commit | commitdiff | tree | snapshot
2018-08-07 Roland SchulzFix clang-tidy MPI warnings commit | commitdiff | tree | snapshot
2018-08-06 Roland SchulzChange gmx_bool from int to bool commit | commitdiff | tree | snapshot
2018-08-06 Roland SchulzDisable FPE for GCC 7.* with optimizations commit | commitdiff | tree | snapshot
2018-08-05 Mark AbrahamReform enforced rotation working data commit | commitdiff | tree | snapshot
2018-08-04 Roland Schulzclang-tidy: modernize make-unique/shared commit | commitdiff | tree | snapshot
2018-08-04 Kevin BoydSupport hwloc 2.x.x commit | commitdiff | tree | snapshot
2018-08-04 Christian BlauSplit essential dynamics reading routine commit | commitdiff | tree | snapshot
2018-08-01 M. Eric IrrgangRemove extraneous gitignore line. commit | commitdiff | tree | snapshot
2018-07-31 Mark AbrahamClean up inputrec structs commit | commitdiff | tree | snapshot
2018-07-30 Szilárd PállMove out OpenCL device utils from vectype ops commit | commitdiff | tree | snapshot
2018-07-30 Joe Jordanremove most debug flags from gmxpreprocess commit | commitdiff | tree | snapshot
2018-07-30 Aleksei IupinovRemove hardcoded warp_size == 32 assumption from PME GPU commit | commitdiff | tree | snapshot
2018-07-30 Roland SchulzDisable FPEs at end of runner commit | commitdiff | tree | snapshot
2018-07-24 Paul BauerChange manual section on restarts w/o checkpoint commit | commitdiff | tree | snapshot
2018-07-18 Berk HessApply local atom sets in pull code commit | commitdiff | tree | snapshot
2018-07-17 Mark AbrahamUpdate clang static analyzer to version 6 commit | commitdiff | tree | snapshot
2018-07-17 Joe Jordanchange gmx_bool to bool in gmxpreprocess commit | commitdiff | tree | snapshot
2018-07-17 Christian BlauLocal atom set handling during simulations. commit | commitdiff | tree | snapshot
2018-07-16 Roland SchulzFix Windows+Intel commit | commitdiff | tree | snapshot
2018-07-16 Christian BlauAdd LocalAtomSet for handling atom indices. commit | commitdiff | tree | snapshot
2018-07-16 Mark AbrahamUpdated infrastructure for comparing mdrun output in... commit | commitdiff | tree | snapshot
2018-07-16 Roland SchulzWarn for type mismatch for gmx printf like functions 1/3 commit | commitdiff | tree | snapshot
2018-07-16 Mark AbrahamReplacement for pdb2gmx tests commit | commitdiff | tree | snapshot
2018-07-16 Roland SchulzEnable debug FP exceptions without TPI, not with TPI commit | commitdiff | tree | snapshot
2018-07-14 Roland SchulzMSVC: enable code analysis commit | commitdiff | tree | snapshot
2018-07-12 Roland SchulzFix clang-tidy cmake messages commit | commitdiff | tree | snapshot
2018-07-12 Roland SchulzFix attribute usage commit | commitdiff | tree | snapshot
2018-07-12 Roland SchulzTemporary disable armhpc-18.2 commit | commitdiff | tree | snapshot
2018-07-12 Roland SchulzRequire ICC 17.0.1 commit | commitdiff | tree | snapshot
2018-07-12 Mark AbrahamBump minimum MSVC version to 2017 commit | commitdiff | tree | snapshot
2018-07-11 Roland Schulzclang: undefined-reinterpret-cast, comma, extra-semi commit | commitdiff | tree | snapshot
2018-07-11 Roland SchulzFix custom build types with cmake 3.11 commit | commitdiff | tree | snapshot
2018-07-11 Roland SchulzClang warnings commit | commitdiff | tree | snapshot
2018-07-11 Mark AbrahamSplit TopologyInformation into its own header commit | commitdiff | tree | snapshot
2018-07-10 Mark AbrahamAdd infrastructure for tools cleanup commit | commitdiff | tree | snapshot
2018-07-10 Roland SchulzClang warnings: unreachable commit | commitdiff | tree | snapshot
2018-07-08 Mark AbrahamClarify the implementation of selection -ofpdb output commit | commitdiff | tree | snapshot
2018-07-06 Mark AbrahamUse fewer gcc-4.8 configurations commit | commitdiff | tree | snapshot
2018-07-06 Mark AbrahamFix warnings in internal xdr code commit | commitdiff | tree | snapshot
2018-07-06 Mark AbrahamMerge "Merge release-2018 into master" commit | commitdiff | tree | snapshot
2018-07-06 Roland SchulzFix AVX_512_KNL commit | commitdiff | tree | snapshot
2018-07-05 Roland SchulzFix compiler warnings in OCL commit | commitdiff | tree | snapshot
2018-07-04 Roland SchulzMerge release-2018 into master 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
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