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Add support for reading values from refdata
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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2014-10-11
Teemu Murtola
Clean up gmx insert-molecules
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2014-10-11
Teemu Murtola
Make 'gmx insert-molecules' tests test output
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2014-09-29
Roland Schulz
Merge release-4-6 into release-5-0
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2014-09-22
Roland Schulz
Fix message about incorrect usage of dihedral type 9
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2014-09-21
Roland Schulz
Merge release-5-0 into master
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2014-09-17
Roland Schulz
Merge release-5-0 into master
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2014-09-17
Roland Schulz
Remove no-inline-max-size and suppress remark
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2014-09-17
Roland Schulz
Valgrind suppression for OS X 10.9
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2014-09-14
Roland Schulz
Remove unnecessary cppcheck include-path
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2014-09-10
Roland Schulz
Merge release-5-0 into master
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2014-09-05
Roland Schulz
Fix build for external boost 1.56.0
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2014-09-05
Roland Schulz
Merge release-5-0 into master
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2014-09-03
Roland Schulz
Merge release-5-0 into master
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2014-09-03
Roland Schulz
Fix MingW build
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2014-08-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-08-25
Roland Schulz
Merge release-5-0 into master
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2014-08-24
Teemu Murtola
Precalculate pbc shift for analysis nbsearch
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2014-08-18
Roland Schulz
Fix nbnxn templates
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2014-08-18
Roland Schulz
Add Intel command line warning
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2014-08-16
Roland Schulz
Merge release-5-0 into master
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2014-07-31
Roland Schulz
Merge release-5-0 into master
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2014-07-28
Roland Schulz
Merge release-5-0 into master
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2014-07-23
Roland Schulz
Add support for int64 in refdata
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2014-07-22
Roland Schulz
Fix GMX_BUILD_OWN_FFTW for Cygwin
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2014-07-10
Roland Schulz
Fix xml2 link check rerun
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2014-07-09
Mark Abraham
Name the tarball how we like it
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2014-07-01
Roland Schulz
Add support for int64 in refdata
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2014-06-29
Roland Schulz
Merge release-4-6 into release-5-0
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2014-06-28
Roland Schulz
Merge release-5-0 into master
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2014-06-28
Roland Schulz
Another MacOSX rpath fix
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2014-06-27
Roland Schulz
Merge release-4-6 into release-5-0
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2014-06-26
Roland Schulz
Fix Visual Studio Project build
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2014-06-26
Roland Schulz
Fix MacOSX rpath
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2014-06-22
Rossen Apostolov
More clear message for undefined pullgroups.
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2014-06-20
Roland Schulz
Fix that seeking was wrong if frame time was modified
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2014-06-19
Roland Schulz
Merge release-5-0 into master
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2014-06-19
Roland Schulz
Disable maybe-uninitialized warning
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2014-06-18
Roland Schulz
Add ASAN build configuration
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2014-06-18
Roland Schulz
Merge release-5-0 into master
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2014-06-07
David van der Spoel
Merge release-5-0 into master
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commitdiff
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2014-06-06
Mark Abraham
Merge release-4-6 into release-5-0
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2014-06-03
Roland Schulz
Merge release-5-0 into master
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2014-05-27
Roland Schulz
Merge release-5-0 into master
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2014-05-24
Teemu Murtola
Move types/atoms.h to topology/
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2014-05-24
Teemu Murtola
Move types/ishift.h to pbcutil/
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2014-05-24
Teemu Murtola
Move invblock.* to topology/
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2014-05-24
Teemu Murtola
Move types/block.h to topology/
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2014-05-24
Teemu Murtola
Move symtab.* to topology/
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2014-05-24
Teemu Murtola
Merge t_symtab into symtab.h
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2014-05-22
Roland Schulz
Fix memory issue in solvate
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2014-05-22
Roland Schulz
Add ASAN build configuration
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2014-05-10
Roland Schulz
Merge release-5-0 into master
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2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
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2014-05-09
Roland Schulz
Fix GCC 4.9 warnings
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2014-05-09
Roland Schulz
Fix OpenMP unproteced update bug
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