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Clang-tidy: enable further tests
2018-06-28
Roland Schulz
Clang-tidy: enable further tests
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2018-06-23
Roland Schulz
clang-tidy: Enable most bugprone checks
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2018-06-23
Roland Schulz
Allow to enable clang-tidy with GMX_CLANG_TIDY
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2018-05-15
Roland Schulz
Allow OCL CL_SIZE to be set to 4 for Intel
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2018-02-08
Mark Abraham
Use more portable python shebangs
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2018-01-22
Roland Schulz
AVX512: copysign
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2018-01-19
Roland Schulz
AVX512 GCC 5.3 work-around
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2018-01-18
Roland Schulz
Remove incorrect release-note entry
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2018-01-18
Roland Schulz
Avoid dynamic STL containers in global init
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2018-01-05
Roland Schulz
Remove unused defines
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2017-12-26
Roland Schulz
Fix quote
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2017-12-17
Roland Schulz
Merge branch release-2018
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2017-12-17
Roland Schulz
Fix typo introduced in b1b1163a245
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2017-12-13
Roland Schulz
Remove int support for SimdArrayRef
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2017-12-12
Roland Schulz
Add work-around for ICC 18.0/.1
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2017-12-12
Erik Lindahl
Require TPR file for gmx cluster
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2017-12-12
Roland Schulz
Fix shift usage for KNC
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2017-12-08
Mark Abraham
Refine ulp tolerances for some more ewald tests
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2017-12-08
Berk Hess
Correct Shake test tolerances
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2017-12-06
Roland Schulz
Fix ICC warnings
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2017-12-06
Roland Schulz
Added doxygen note to clarify rounding mode of SIMD
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2017-11-27
Roland Schulz
Fix bugs introduced in c4cd996
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2017-11-10
Roland Schulz
PME-gather: 4xN SIMD
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2017-10-11
Roland Schulz
Require template parameter for load function
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2017-10-11
Roland Schulz
Use tag for simdLoad
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2017-10-05
Roland Schulz
Make ConstArrayRef alias to ArrayRef<const T>
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2017-09-02
M. Eric Irrgang
Remove macro that confuses some debuggers
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2017-09-02
Berk Hess
Put all domdec options in a struct
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2017-08-29
Aleksei Iupinov
Remove leftover function declaration
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2017-08-29
Roland Schulz
Enable missing declarations warning
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2017-08-28
Roland Schulz
Enable unused function warning
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2017-08-28
Erik Lindahl
Improved SIMD test data to use all bits
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2017-06-28
Roland Schulz
Merge "Merge branch release-2016"
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2017-06-28
Roland Schulz
Fix ICC workaround for C++11 feature check
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-05-11
Roland Schulz
Remove static-intel from default flags
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2017-05-01
David van der Spoel
Xpm test for gmx clustsize
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2017-04-17
Erik Lindahl
Fixed AVX-512F compiler flags
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2017-04-10
Vedran Miletić
Really enable avx512 in fftw only for select compilers
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2017-02-25
Michael Shirts
Fix for an incorrect check that nstlog !=0
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2017-02-23
Roland Schulz
Fix compile of GMX_SIMD=None with ICC
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2017-01-13
Roland Schulz
Enable uncrustify for template
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2017-01-10
Roland Schulz
Fix AVX512 issues in debug mode
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2017-01-05
Roland Schulz
Supress ICC 16 on Windows false postives
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2017-01-05
Roland Schulz
Fix copyright year of previous commit
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2016-12-20
Mark Abraham
Improve build system for plugin support
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2016-12-15
M. Eric Irrgang
Fix syntax in cmake status message
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2016-12-15
Roland Schulz
Add create_unique_with_deleter
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2016-12-15
Roland Schulz
Replace scoped_cptr with unique_cptr
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2016-12-15
Vedran Miletić
Improve include sorter error reporting
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2016-12-15
Mark Abraham
Removed support for multiple entries in mdp files
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2016-12-15
Mark Abraham
Handle warninp correctly in xpm2ps and membed
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2016-11-23
Mark Abraham
Stop including tng_io_fwd.h
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2016-10-21
Roland Schulz
Suppress cppcheck warning
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2016-10-17
Teemu Murtola
Support option assignment from different precision
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2016-10-17
Teemu Murtola
Add support for reading values from refdata
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2016-08-24
Roland Schulz
Remove unnecessary ICC warning suppression
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2016-07-23
Roland Schulz
Merge release-2016 into master
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2016-07-18
Roland Schulz
Fix non-parallel build
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2016-05-27
Erik Lindahl
Detect the usage of hwtop XML caching
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2016-04-28
Roland Schulz
Merge "Merge branch release-5-1"
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2016-04-18
Teemu Murtola
Make thread affinity failures always end up in log
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2016-04-18
Mark Abraham
Reduce compilation coupling of SIMD module
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2016-04-15
Roland Schulz
Fix AVX512 suggestion
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2016-04-04
Erik Lindahl
Fix hwloc narrowing warning on 32-bit architectures
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2016-03-26
Berk Hess
Add real/SIMD template for LJ-14 pairs
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2016-03-10
Roland Schulz
Improve AVX512
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2016-03-03
Berk Hess
Use SIMD transpose scatter in bondeds
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2016-01-10
Teemu Murtola
More config.h macros to 0/1
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2015-09-23
Roland Schulz
Bump required CUDA version from 4.0+ to 5.0+
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2015-08-07
Roland Schulz
Fix missing include
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2015-07-31
David van der Spoel
Change initial parameters for testing expfit.
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2015-07-18
Teemu Murtola
Move Options::setDescription() elsewhere
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2015-07-11
Roland Schulz
Update kernel templates to match kernels
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2015-07-09
Roland Schulz
New quotes
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2015-07-08
Roland Schulz
Merge release-5-1 into master
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2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
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2015-07-08
Roland Schulz
Merge release-4-6 into release-5-0
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2015-06-19
Roland Schulz
Fix missing include
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2015-06-16
Roland Schulz
Fix consts in bonded and clincs
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2015-06-14
Berk Hess
Refactored mdrun resource division
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2015-06-12
Teemu Murtola
Extend source layout description in dev guide
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2015-06-05
Roland Schulz
Merge release-5-0 into master
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2015-05-30
Roland Schulz
Work-around for ICC 15 on Phi
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2015-05-26
Roland Schulz
Don't set CFLAGS for Phi in toolchain
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2015-03-17
Roland Schulz
Fix linking with static libxml2
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2015-02-13
Teemu Murtola
Generate man pages through Sphinx
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2015-02-13
Teemu Murtola
Replace tool HTML help with Sphinx-generated docs
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2015-02-12
Roland Schulz
Merge release-5-0 into master
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2015-02-12
Roland Schulz
Merge release-4-6 into release-5-0
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2015-01-27
Roland Schulz
Workaround for MemorySanitizer
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2015-01-27
Roland Schulz
Fix unitlized memory read in checkpoint
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2014-12-18
Roland Schulz
Fix CMP0054 cmake 3.1.0 warnings
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2014-12-12
Mark Abraham
Add StringFormatter and formatAndJoin to stringutil
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2014-12-07
Roland Schulz
Merge release-5-0 into master
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2014-11-26
Roland Schulz
Fix clang with boost 1.46.1 and 1.47
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2014-11-09
Viveca Lindahl
Fixed typo in cmake warning.
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2014-11-09
Roland Schulz
Backport valgrind suppression
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2014-11-05
Roland Schulz
Minor update of boost README
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2014-10-20
Roland Schulz
Used IWYU to partially clean up some includes
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