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Fix small leaks in do_md cleanup
2018-06-23 Roland SchulzAllow to enable clang-tidy with GMX_CLANG_TIDY
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2018-05-30 Roland SchulzFix MSAN build-type and error
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2018-05-23 Roland SchulzRename GMX_OCL_CLUSTER_SIZE to GMX_OCL_NB_CLUSTER_SIZE
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2018-05-21 Roland SchulzFix illegal instruction error on KNL
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2018-05-15 Roland SchulzAllow OCL CL_SIZE to be set to 4 for Intel
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2018-05-15 Roland SchulzUse same OpenCL kernel for different Vendors
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2018-05-02 Roland SchulzEnable uncrustify for OpenCL
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2018-05-02 Roland SchulzSupport 4 sized cluster for GPU NBL search
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2018-01-22 Roland SchulzAVX512: copysign
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2018-01-19 Roland SchulzAVX512 GCC 5.3 work-around
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2018-01-18 Roland SchulzRemove incorrect release-note entry
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2018-01-18 Roland SchulzAvoid dynamic STL containers in global init
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2018-01-16 Roland SchulzMerge release-2018 into master
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2018-01-11 Roland SchulzFix GMX_ENABLE_AVX512_TESTS being internal
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2018-01-05 Roland SchulzRemove unused defines
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2017-12-28 Roland SchulzReplace GMX_ALIGNED with alignas and SIMD alignment...
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2017-12-26 Roland SchulzFix quote
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2017-12-21 Roland SchulzUpdate checks for BuildOwnFFT
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2017-12-18 Roland SchulzFix cmake error with emacs lock files in place
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2017-12-17 Roland SchulzMerge branch release-2018
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2017-12-17 Roland SchulzFix typo introduced in b1b1163a245
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2017-12-17 Roland SchulzChange avx_128_fma build to double
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2017-12-17 Roland SchulzSupport Simd4N for SimdRealWidth<4
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2017-12-15 Roland SchulzRemove incorrect/misleading OpenMP message
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2017-12-15 Roland SchulzRevert "Use table Ewald for Skylake"
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2017-12-14 Roland SchulzSimplify CMAP loop
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2017-12-13 Roland SchulzRemove int support for SimdArrayRef
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2017-12-12 Roland SchulzAdd work-around for ICC 18.0/.1
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2017-12-12 Roland SchulzFix shift usage for KNC
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2017-12-11 Roland SchulzReplace intrinsic with inline asm for AVX512 unit test
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2017-12-07 Roland SchulzFix AWH test accuracy
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2017-12-07 Roland SchulzFix exp test for ICC in double
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2017-12-07 Roland SchulzFix RelWithAssert with ICC
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2017-12-07 Roland SchulzFix C++11 library check's thread dependency
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2017-12-06 Roland SchulzFix ICC warnings
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2017-12-06 Roland SchulzAdded doxygen note to clarify rounding mode of SIMD
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2017-12-05 Roland SchulzFix ArrayRef<SimdDInt32> for SSE/AVX128
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2017-11-27 Roland SchulzFix bugs introduced in c4cd996
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2017-11-10 Roland SchulzPME-gather: 4xN SIMD
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2017-11-10 Roland SchulzRename load1DualHsimd to loadU1DualHsimd
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2017-11-10 Roland SchulzAVX: Improve load1DualHsimd
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2017-11-10 Roland SchulzRevert "Use -mavx2 -mfma instead of -march with AVX2"
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2017-11-09 Roland SchulzICC should use ZMM if code anyhow uses ZMM
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2017-11-08 Roland SchulzFix scalar blend
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2017-10-30 Roland SchulzArrayRef: Replace fromVector with subArray
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2017-10-13 Roland SchulzReplace all ConstArrayRef with ArrayRef<const T>
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2017-10-13 Roland SchulzSpecialize ArrayRef for SimdReal
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2017-10-11 Roland SchulzRequire template parameter for load function
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2017-10-11 Roland SchulzUse tag for simdLoad
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2017-10-07 Roland SchulzRefactor load+SimdLoad*ProxyInternal to reduce duplication
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2017-10-05 Roland SchulzMake ConstArrayRef alias to ArrayRef<const T>
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2017-10-05 Roland SchulzFix that exp(load(x)) is ambiguous
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2017-10-04 Roland SchulzAllow non-const access for const ArrayRef
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2017-09-19 Roland SchulzICC: Disable include path warning
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2017-09-08 Roland SchulzFix compiler warning
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2017-09-07 Roland SchulzAdd isIntegralConstant type trait
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2017-09-06 Roland SchulzPME-gather: Use templated functor instead of preprocessor
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2017-09-04 Roland SchulzFix accuracy for cvtDouble2Float/cprod
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2017-08-29 Roland SchulzEnable missing declarations warning
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2017-08-28 Roland SchulzEnable unused function warning
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2017-08-09 Roland SchulzUse table Ewald for Skylake
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2017-07-11 Roland SchulzPME-gather: make variables local and const
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2017-06-28 Roland SchulzMerge "Merge branch release-2016"
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2017-06-28 Roland SchulzFix ICC workaround for C++11 feature check
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2017-06-27 Roland SchulzMerge branch release-2016
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2017-05-22 Roland SchulzRemove TMPI_ATOMICS from config.h
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2017-05-11 Roland SchulzRemove static-intel from default flags
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2017-02-23 Roland SchulzFix compile of GMX_SIMD=None with ICC
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2017-02-10 Roland SchulzRemove duplicate AVX512 gather definitions
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2017-02-08 Roland SchulzAVX512: Use double-sized gather for pairs of floats
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2017-01-20 Roland SchulzFix missing break in switch
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2017-01-18 Roland SchulzAdd AlignedArray
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2017-01-13 Roland SchulzEnable uncrustify for template
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2017-01-11 Roland SchulzTidy: modernize-use-nullptr
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2017-01-10 Roland SchulzFix AVX512 issues in debug mode
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2017-01-05 Roland SchulzSupress ICC 16 on Windows false postives
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2017-01-05 Roland SchulzFix copyright year of previous commit
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2017-01-05 Roland SchulzFix unitialized memory access
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2016-12-15 Roland SchulzAdd create_unique_with_deleter
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2016-12-15 Roland SchulzReplace scoped_cptr with unique_cptr
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2016-11-03 Roland SchulzSupress ICC 16 on Windows false postives
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2016-10-30 Roland SchulzReplace qsort/bsearch with std::sort/lower_bound
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2016-10-21 Roland SchulzSuppress cppcheck warning
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2016-09-18 Roland SchulzFix math-test false positive
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2016-09-18 Roland SchulzBetter optimized ICC release flags
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2016-09-13 Roland SchulzTidy: modernize-use-emplace
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2016-08-27 Roland SchulzFix build with GMX_USE_TNG=off
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2016-08-24 Roland SchulzRemove unnecessary ICC warning suppression
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2016-07-30 Roland SchulzUpdate GCC version for reference build
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2016-07-23 Roland SchulzMerge release-2016 into master
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2016-07-18 Roland SchulzFix non-parallel build
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2016-06-02 Roland SchulzFix ICC 16u3 build
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2016-05-28 Roland SchulzFix build with clang 3.1+3.2
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2016-05-17 Roland SchulzAdd reference to TopoTools 1.6
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2016-05-13 Roland SchulzDon't use abort for fatal errors
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2016-05-10 Roland SchulzAdd OpenMP for functions limiting scaling
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2016-04-28 Roland SchulzMerge "Merge branch release-5-1"
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2016-04-26 Roland SchulzFix numerically unstable Gaussian test
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2016-04-19 Roland SchulzFix numerically unstable selection test
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2016-04-19 Roland SchulzTune nstlist increase for KNL
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The ultimate molecular dynamics simulation package