Clean up index handing in make_bondeds_zone
[alexxy/gromacs.git] / src / gromacs / utility /
2021-11-03 Mark AbrahamImprove MessageStringCollector
2021-10-29 Mark AbrahamGeneralize constraints on MPI rank counts for tests
2021-10-27 Berk HessAdd Oliver Fleetwood as a contributor
2021-10-27 Joe JordanThrow on failure in gmx_file_rename
2021-10-26 Mark AbrahamRemove/replace many mentions of Jenkins
2021-10-18 Andrey AlekseenkoMerge release-2021 into master
2021-10-10 M. Eric IrrgangSatisfy nblib dependencies with updated library targets.
2021-09-28 Dmitry MorozovImplementation of QMMM, QMMMSimulationParameterSetup...
2021-09-21 Andrey AlekseenkoFix compilation with oneAPI 2021.2 and earlier
2021-09-16 Andrey AlekseenkoAdd SYCL compiler and MKL versions
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-09-13 Mark AbrahamFix issues from downstream patches and suppressions
2021-09-08 Gaurav GargRedesign GPU FFT abstraction
2021-09-07 Mark AbrahamReplace ResidueTypeMap with std::unordered_map
2021-08-26 Andrey AlekseenkoAdd missing Doxygen for SYCL functions and some others
2021-08-26 Dmitry MorozovAdded toUpperCase and toLowerCase transformations of...
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'...
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD
2021-06-30 Mark AbrahamTest with newer compilers in CI
2021-06-29 Paul BauerMerge branch release-2021 into master
2021-06-07 Andrey AlekseenkoAdd SYCL-related information to the mdrun version header
2021-06-07 Dmitry MorozovAdded EnergyOutputRequestChecker notification for MDModules
2021-06-03 Dmitry MorozovAdded QM input file name as command-line parameter...
2021-06-02 Dmitry MorozovAdd notifications for MDModules that will be used in...
2021-05-27 Berk HessAdd AWH references
2021-05-20 Paul BauerDisable ArrayRefDeathTests when building without assertions
2021-05-19 Paul BauerAdd nullptr check in ArrayRef from array construction
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files
2021-05-13 Artem ZhmurovAdd appendIf(..) method and tests for MessageStringColl...
2021-05-11 Mark AbrahamApply clang-format-11
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master
2021-05-04 Eliane BriandRespect umask when creating temporary file
2021-05-03 Artem ZhmurovFix copyright year
2021-05-03 Mark AbrahamRespect umask when creating temporary file
2021-04-22 Paul BauerFix build with gcc-11
2021-04-21 Mark AbrahamFix doxygen for MessageStringCollector
2021-04-20 Joe Jordanclang-tidy-11 fixes for utils
2021-04-19 Alan GrayAdd Gaurav to list of contributors
2021-04-17 Philip LocheRemoved a duplicated quote
2021-04-17 Mark AbrahamRename files to follow style
2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers
2021-03-31 Mark AbrahamMake EnumerationArray::size() not static
2021-03-27 Mark AbrahamUpdate developer guide on error handling
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio...
2021-03-23 Gaurav GargDetect CUDA-aware support in underlying MPI implementation
2021-03-15 Paul BauerAdd another cool quote.
2021-03-15 Artem ZhmurovAdd a cool quote from Elvis Presley's song
2021-03-08 Mark AbrahamRevert "Use std::aligned_alloc"
2021-03-05 Mark AbrahamIntroduce StringToEnumValue
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2021-03-02 Mark AbrahamUse std::aligned_alloc
2021-02-26 Mark AbrahamDeprecate gmx::Any
2021-02-22 Mark AbrahamFix code so clang-tidy no longer complains
2021-02-22 Paul BauerRefactor md_enums
2021-02-12 Mark AbrahamMerge branch release-2021 into master
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes
2021-02-09 Andrey AlekseenkodispatchTemplatedFunction: dispatch by bool
2021-02-08 Paul BauerRemoved "math.h" included from clang-tidy
2021-02-05 Paul BauerClang-tidy-11 fixes for utility
2021-02-05 Paul BauerFix clang-tidy-11 for domdec and utility
2021-02-03 Mark AbrahamRemove support for Intel classic compiler
2021-02-01 Mark AbrahamRemove x86 MIC support
2021-02-01 Mark AbrahamReplace gmx::Mutex with std::mutex
2021-02-01 Paul BauerFix clang-tidy
2021-01-29 Hubert SantuzAllow MdModules to access the topology during simulatio...
2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr
2021-01-29 Dmitry MorozovAdded functionality that allows MdModules to disable...
2021-01-29 Mark AbrahamMerge branch release-2021
2021-01-20 Mark AbrahamDescribe the configured precision correctly for mdrun
2021-01-19 Szilárd PállAdd G. Gouaillardet to the list of contributors
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021
2020-12-18 Mark AbrahamMerge branch release-2021
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree.
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2
2020-12-09 Pascal MerzFix dump of checkpoint files
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021...
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020...
2020-11-23 Paul BauerFixes for Intel and container build fixes
2020-11-23 Artem ZhmurovRemove coolquote that sounds offensive without context
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules.
2020-11-13 M. Eric IrrgangProvide a catch-all target for library modules.
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021...
2020-11-04 M. Eric IrrgangEstablish `api/` as the home for installed headers.
2020-10-28 Andrey AlekseenkoMake dispatchTemplatedFunction compatible with MSVC
2020-10-28 Andrey AlekseenkoAdd dispatchTemplatedFunction
2020-10-23 Mark AbrahamMerge branch release-2021
2020-10-22 Artem ZhmurovUse and properly initialize PRNG when hardware random...
2020-10-22 Artem ZhmurovFix formatting of the authors list
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos
2020-10-19 Erik LindahlNew Twitter-based quote
2020-10-12 Artem ZhmurovFix the seeding of PRNG when it is used instead of RG
2020-10-09 Artem ZhmurovCool quote picking can freeze when hardware random...
2020-10-08 Artem ZhmurovAdd Andrey Alekseenko to the list of authors
2020-10-07 Erik LindahlNew release, new quotes!
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-09-30 Paul BauerUpdate CI on 2020 branch
2020-09-29 Paul BauerFix doxygen warnings
2020-09-29 Artem ZhmurovDon't use fah_fsync
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