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Remove GMX_CONSTRVIR
2021-05-24 Mark AbrahamRemove GMX_CONSTRVIR
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2021-05-17 Mark AbrahamRefactor gmx_reverse_top_t
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2021-05-13 Mark AbrahamDecouple update group handling from domain decomposition...
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2021-05-11 Mark AbrahamApply more clang-tidy-11
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2021-05-11 Mark AbrahamApply clang-format-11
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2021-05-11 Mark AbrahamRename pdb2gmx tests
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2021-05-05 Mark AbrahamRestore pull output to rerun
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2021-05-05 Mark AbrahamBreak up dd_init_bondeds
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2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints
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2021-05-04 Mark AbrahamRemove some use of charge groups from domdec
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2021-05-03 Mark AbrahamRespect umask when creating temporary file
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2021-05-03 Mark AbrahamReplace bool with enum class in DomdecOptions
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2021-05-03 Mark AbrahamRemove redundant store
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2021-05-03 Mark AbrahamTemporarily lift requirement to detect GPUs in CI
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2021-05-03 Mark AbrahamFully define IndexGroupsAndNames
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2021-04-30 Mark AbrahamProhibit SETTLE interactions on atoms with perturbed...
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2021-04-30 Mark AbrahamTemporarily lift requirement to detect GPUs in CI
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2021-04-22 Mark AbrahamImprove UpdateGroups testing infra
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2021-04-22 Mark AbrahamMore renaming for UpdateGroups
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2021-04-21 Mark AbrahamFix doxygen for MessageStringCollector
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2021-04-21 Mark AbrahamLet LoggerTestHelper write cleaner tests
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2021-04-21 Mark AbrahamRemove uses of std::bind
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2021-04-21 Mark AbrahamUse consistent naming for update groups
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2021-04-17 Mark AbrahamRename files to follow style
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2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers
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2021-04-12 Mark AbrahamRelax default tolerance on pressure comparisons
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2021-03-31 Mark AbrahamMake EnumerationArray::size() not static
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2021-03-30 Mark AbrahamMove responsibility for checking bondeds in reverse...
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2021-03-27 Mark AbrahamUpdate developer guide on error handling
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2021-03-25 Mark AbrahamFixed unused variable warning
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2021-03-22 Mark AbrahamUse StringToEnumValueConverter and enumValueToString...
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2021-03-15 Mark AbrahamFix OpenCL build on OSX
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2021-03-08 Mark AbrahamRevert "Use std::aligned_alloc"
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2021-03-05 Mark AbrahamFix clang-format and naming of static variable
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2021-03-05 Mark AbrahamIntroduce StringToEnumValue
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2021-03-03 Mark AbrahamRemove PDO reading from gmx wham
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2021-03-02 Mark AbrahamUse std::aligned_alloc
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2021-03-01 Mark AbrahamVarious fixes for gmx xpm2ps
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2021-02-26 Mark AbrahamDeprecate gmx::Any
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2021-02-26 Mark AbrahamFix MiMiC with vsites
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2021-02-22 Mark AbrahamHide newly exposed domdec internals
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2021-02-22 Mark AbrahamFix code so clang-tidy no longer complains
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2021-02-12 Mark AbrahamMerge branch release-2021 into master
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2021-02-12 Mark AbrahamImprove CUDA codegen flags
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2021-02-09 Mark AbrahamRemove tree-reduce algorithm
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2021-02-06 Mark AbrahamAdd style code for function static variables
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2021-02-05 Mark AbrahamEnsure GoogleTest builds properly
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2021-02-05 Mark AbrahamRemove VMX SIMD
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2021-02-04 Mark AbrahamDefine M_PI when it is not defined
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2021-02-04 Mark AbrahamRemove support for ARMv7 and NEON
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2021-02-04 Mark AbrahamFix refactoring issue
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2021-02-04 Mark AbrahamEnsure no UB in writing forces
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2021-02-03 Mark AbrahamFix handling of tip4p in pdb2gmx
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2021-02-03 Mark AbrahamFix test of not_null
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2021-02-03 Mark AbrahamRemove support for Intel classic compiler
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2021-02-02 Mark AbrahamRemove support for Fujitsu Sparc64 HPC-ACE
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2021-02-02 Mark AbrahamFix compiler-version checks for C++17 requirements
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2021-02-01 Mark AbrahamRemove x86 MIC support
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2021-02-01 Mark AbrahamAdd necessary include
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2021-02-01 Mark AbrahamReplace gmx::Mutex with std::mutex
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2021-01-31 Mark AbrahamRequire MPI 2.0
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2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr
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2021-01-29 Mark AbrahamMerge branch release-2021
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2021-01-27 Mark AbrahamTest python 3.9.1
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2021-01-26 Mark AbrahamFix default for xpm2gmx tick-mark spacings
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2021-01-26 Mark AbrahamStop installing NB-LIB argon-forces-integration binary
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2021-01-25 Mark AbrahamUse ctest better to run NB-LIB sample code as a test
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2021-01-25 Mark AbrahamLog progress from gmx msd better
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2021-01-21 Mark AbrahamEnsure residue name used by pdb2gmx matches rtp name
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2021-01-21 Mark AbrahamSuggest a workaround for pulling with -deffnm
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2021-01-20 Mark AbrahamDescribe the configured precision correctly for mdrun
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2021-01-20 Mark AbrahamFix PaddedVector move constructor
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2021-01-20 Mark AbrahamReport hwloc 1.x deprecation only when found
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2021-01-19 Mark AbrahamDeprecate mdrun -deffnm
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2021-01-11 Mark AbrahamRemove mdrun-only build configuration
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2020-12-23 Mark AbrahamDeprecate .pdo file reading
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2020-12-18 Mark AbrahamMerge branch release-2021
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2020-12-17 Mark AbrahamUpdate CI image to OneAPI 2021.1.1, add ICC tests.
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2020-12-15 Mark AbrahamUpdate deprecation statuses
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2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2
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2020-12-04 Mark AbrahamFix mdrun-only build
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2020-11-24 Mark AbrahamStop GoogleTest requiring ancient CMake minimum versions
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2020-11-10 Mark AbrahamAdd move operations to GpuHaloExchange
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2020-11-05 Mark AbrahamStop showing wrong README on GitHub front page
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2020-11-05 Mark AbrahamImprove issues with CUDA interacting with std flags
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2020-11-04 Mark AbrahamFix use of config.h in halo exchange tests
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2020-11-04 Mark AbrahamRemove logging from hardware detection
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2020-10-23 Mark AbrahamMerge branch release-2021
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2020-10-22 Mark AbrahamCompile host code with c++14 where needed
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2020-10-22 Mark AbrahamSuppress warnings from clang with nvcc more widely
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2020-10-21 Mark AbrahamFix C++ language flag propagation to nvcc
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2020-10-16 Mark AbrahamFixes for clang 11
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2020-10-14 Mark AbrahamFix compilation with MSVC
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2020-10-14 Mark AbrahamFix string interpolation error
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2020-10-14 Mark AbrahamFix bonded tests
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2020-10-07 Mark AbrahamUpdate to oneAPI beta09
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2020-10-02 Mark AbrahamCleaned up CUDA compilation
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2020-10-02 Mark AbrahamUpdate GoogleTest to v1.8.1
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2020-09-30 Mark AbrahamFix warnings issued by clang with nvcc
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2020-09-28 Mark AbrahamFix check for BitScanReverse64
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