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Fix harmless Sphinx warning
2021-10-01
Roland Schulz
SYCL: remove (un)flatten
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2021-09-29
Roland Schulz
Add missing includes
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2021-09-22
Roland Schulz
Fix compilation with GMX_USE_MUPARSER=None
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2021-09-22
Roland Schulz
Fix out of bound vector access in vsites
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2021-05-18
Roland Schulz
Fix build with clang-cuda
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2021-05-05
Roland Schulz
Fix compile with IntelLLVM and cmake 3.20
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2021-04-11
Roland Schulz
Fix compile with Intel oneAPI 2021.2
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2021-01-29
Roland Schulz
Use cxx mpi
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2020-10-26
Roland Schulz
Make install-guide MPI consistent
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2020-10-23
Roland Schulz
Fix warning with OneAPI compiler and AVX512
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2020-09-10
Roland Schulz
Fix Visual Studio build
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2020-09-10
Roland Schulz
Simpify CheckpointData
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2020-07-06
Roland Schulz
Modernize STL usage
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2020-07-01
Roland Schulz
Simplify Iterators
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2020-06-26
Roland Schulz
Change ArrayRef to use a proper iterator
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2020-06-26
Roland Schulz
MKL NULL->nullptr and remove dead code
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2020-06-24
Roland Schulz
Fix OpenCL install
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2020-06-24
Roland Schulz
Fix clFFT build without GMX_LOAD_PLUGINS
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2020-06-23
Roland Schulz
Don't print pygments error
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2020-05-11
Roland Schulz
Fix Clang Cuda flags
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2020-05-11
Roland Schulz
Fix Clang CUDA for Clang>=9
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2020-04-28
Roland Schulz
Add clang WA
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2020-04-28
Roland Schulz
Fix MSVC 2019 test failures
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2020-04-25
Roland Schulz
Fix MSVC 2019 warnings
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Roland Schulz
Workaround for ICC 19u5 and 20initial
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2020-01-07
Roland Schulz
Add support for ICC NextGen with MKL
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2019-03-28
Roland Schulz
Fix UB vector usage
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2019-03-27
Roland Schulz
Fix UB vector usage
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2019-03-08
Roland Schulz
Fix ICC warnings
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2019-03-01
Roland Schulz
Improve documentation links
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2019-02-19
Roland Schulz
Add GMX_OCL_SHOW_DIAGNOSTICS env option
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2019-02-19
Roland Schulz
Improve libstd++ handling
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2019-02-11
Roland Schulz
Remove EmptyArrayRef
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2019-02-08
Roland Schulz
Fix sign warning
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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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2019-02-07
Roland Schulz
Add ssize and remove static_casts
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-02-04
Roland Schulz
Fix cmake policy warning
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2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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2019-02-02
Roland Schulz
Fix Intel compiler on Windows build
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2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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2019-02-02
Roland Schulz
Remove reliance on inconsistent cmake feature testing
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2019-02-02
Roland Schulz
Add recommendation of how to compile with MPI
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2019-01-31
Roland Schulz
Fix clfft build
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2019-01-30
Roland Schulz
Change all C to C++ outside of TNG
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2019-01-29
Roland Schulz
Add cmake C++14 feature check
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2019-01-28
Roland Schulz
Resolve C++14 TODOs
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2019-01-26
Roland Schulz
Fix clang warning
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2019-01-26
Roland Schulz
Fix misc clang warnings
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2019-01-25
Roland Schulz
Require C++14
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2019-01-25
Roland Schulz
Work-around for ICC bug in simd-tests
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2019-01-23
Roland Schulz
Merge release-2019 into master
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-23
Roland Schulz
Rename gmx Variant to Any
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2019-01-23
Roland Schulz
Turn SystemAtomIterator into proper iterator
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2019-01-15
Roland Schulz
Require cmake 3.9.6
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2018-12-13
Roland Schulz
Remove unused MdrunComparisonFixture
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-10-09
Roland Schulz
Fix MSAN errors
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2018-10-08
Roland Schulz
OCL: Add const to function arguments
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2018-10-08
Roland Schulz
Add OCL kernel target
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2018-10-08
Roland Schulz
Fix OCL compiler warnings
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2018-10-08
Roland Schulz
Remove majority of OCL command line constants
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2018-10-05
Roland Schulz
Fix multiple bugs detected on Windows
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2018-10-05
Roland Schulz
OCL: Make variables const
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2018-10-04
Roland Schulz
Use subgroup for warp_any and CJ4 prefetch
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2018-10-02
Roland Schulz
Use subgroup shuffle for reduction
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2018-10-02
Roland Schulz
Narrow scope of ICC compiler work-around
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2018-09-27
Roland Schulz
Recognize Intel GPU as compatible
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2018-09-21
Roland Schulz
Fix clang-tidy warnings for clang 7
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2018-09-18
Roland Schulz
Fix bitmask printing
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2018-09-15
Roland Schulz
Replace slave with agent
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2018-09-14
Roland Schulz
Warn for type mismatch for gmx printf like functions 3/3
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2018-09-13
Roland Schulz
Remove sparc64_hpc_ace nonbonded kernels
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2018-09-13
Roland Schulz
Remove useless comments
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2018-09-12
Roland Schulz
Warn for type mismatch for gmx printf like functions 2/3
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2018-09-12
Roland Schulz
Add SSE2 + double config
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2018-09-12
Roland Schulz
Remove cpluscplus ifdefs
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2018-09-12
Roland Schulz
Fix clang-tidy warnings for OCL
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2018-09-11
Roland Schulz
Fix SSE4.1 after change to C++
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2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
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2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
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2018-09-10
Roland Schulz
Add roundToInt
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2018-09-07
Roland Schulz
clang-tidy: override
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2018-09-07
Roland Schulz
Simplify Allocator
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2018-09-06
Roland Schulz
HostAllocator: Remove unnecessary template
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2018-09-06
Roland Schulz
Remove pin/unpin from HostAllocator
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2018-09-06
Roland Schulz
Change CanBePinned to PinnedIfSupported
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2018-09-05
Roland Schulz
Remove meta information from host allocator policy
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2018-09-03
Roland Schulz
Reduce duplication in gpu_utils
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2018-09-02
Roland Schulz
Turn DlbState into scoped enum
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2018-08-29
Roland Schulz
Document clang-tidy libstdc++ incompatibility
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2018-08-29
Roland Schulz
Use more const in hardwaretopology
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2018-08-29
Roland Schulz
Fix clang-tidy build with libstdc++ >= 7
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2018-08-28
Roland Schulz
Add hard limit for line length
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2018-08-27
Roland Schulz
Enable more clang-tidy checks for new code
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2018-08-20
Roland Schulz
Remove macros in utility/tests/arrayref
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2018-08-19
Roland Schulz
Fix simd-test
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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
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