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alexxy/gromacs.git
2014-09-17
David van der...
Merge release-5-0 into master
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2014-09-17
Roland Schulz
Valgrind suppression for OS X 10.9
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2014-09-16
Roland Schulz
Fix warnings for ICC 15
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2014-09-14
Roland Schulz
Remove unnecessary cppcheck include-path
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2014-09-13
Mark Abraham
Teach git that some files are binary
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2014-09-13
Teemu Murtola
Extend support for float/double tolerances in testing
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2014-09-13
Teemu Murtola
Declare __STDC_*_MACROS in gmxpre.h
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2014-09-12
Mark Abraham
Minor changes to mdrun -h descriptions
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2014-09-12
Teemu Murtola
Run include order check in doc-check
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2014-09-11
Roland Schulz
Fix sorting and doxygen
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2014-09-11
Teemu Murtola
Improve uncrustify.sh return code handling
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2014-09-11
Teemu Murtola
Include directive sorter
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2014-09-11
Teemu Murtola
Add gmx_getpid()
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2014-09-11
Mark Abraham
Remove documentation references to optimize-fft
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2014-09-11
Mark Abraham
Convert domdec code to C++
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2014-09-11
Teemu Murtola
Move _GNU_SOURCE to gmxpre.h
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2014-09-11
Teemu Murtola
Sort includes outside src/gromacs
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2014-09-11
Teemu Murtola
Sort all includes in src/gromacs
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2014-09-11
Teemu Murtola
Use absolute include paths in nbnxn kernels
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2014-09-11
Teemu Murtola
Manually sort some includes in src/gromacs
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2014-09-11
Erik Lindahl
Enable static anon namespace workaround on pathscale
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2014-09-10
Erik Lindahl
Improve performance of MIC exponential
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2014-09-10
David van der...
Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.
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2014-09-10
Justin Lemkul
Added flat-bottom cylindrical restraints in x and y.
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2014-09-10
Roland Schulz
Merge release-5-0 into master
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2014-09-09
Berk Hess
Fixed DD state collection issue
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2014-09-09
Rossen Apostolov
Converted groupcoord to C++.
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2014-09-09
Rossen Apostolov
Converted fft files to C++.
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2014-09-08
Erik Lindahl
Add 64-bit AArch64 asimd SIMD support
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2014-09-08
Erik Lindahl
Add 32-bit ARM Neon SIMD support
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2014-09-08
Berk Hess
Check for implicit solvent + Verlet scheme
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2014-09-08
Teemu Murtola
Support custom default extension for FileNameOption
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2014-09-08
Teemu Murtola
Remove unnecessary extensions in t_filenm defaults
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2014-09-07
Teemu Murtola
More consistent default handling for StringOption
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2014-09-07
Teemu Murtola
Update template/README
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2014-09-07
Roland Schulz
Remove some include order dependencies
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2014-09-07
Roland Schulz
Fix build for external boost 1.56.0
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2014-09-07
Roland Schulz
Simplify AVX integer load/store
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2014-09-05
Roland Schulz
Fix build for external boost 1.56.0
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2014-09-05
Teemu Murtola
Remove unnecessary config.h includes
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2014-09-05
Teemu Murtola
Move some defines to gmxpre.h for thread-MPI
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2014-09-05
Teemu Murtola
Another batch of added config.h
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2014-09-05
Teemu Murtola
Make doc-check fail the build on warnings
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2014-09-05
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-05
Mark Abraham
Version bumps after new release
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2014-09-05
Mark Abraham
Version 5.0.1
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2014-09-05
Roland Schulz
Merge release-5-0 into master
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2014-09-04
Roland Schulz
Add Mingw warnings
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2014-09-04
Roland Schulz
Slight simplifcation of 2xnn
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2014-09-04
Teemu Murtola
Include config.h directly if used
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2014-09-04
Teemu Murtola
Make doc-check silent for in-source build
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2014-09-04
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-04
Mark Abraham
Created bonded module
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2014-09-04
Erik Lindahl
K-computer specific modifications
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2014-09-04
Christoph Junghans
cmake: missing quote
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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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2014-09-03
Erik Lindahl
Fixed sc_power==48 crash in single precision
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2014-09-03
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-09-03
Mark Abraham
More hacking to get the template to detect and build
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2014-09-03
Roland Schulz
Fix that TNG tests were not run
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2014-09-03
Erik Lindahl
Fixed preprocessor error for AVX_128_FMA simd
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2014-09-02
Erik Lindahl
Fix formatting of fatal errors in g_bar
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2014-09-02
Roland Schulz
Fix PRINT_ALLOC_KB output
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2014-09-02
Magnus Lundborg
TNG Fix for GMX_DOUBLE builds and where ZLIB is not...
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2014-09-02
Magnus Lundborg
Fix data block length when uncompressing TNG data.
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2014-09-02
Erik Lindahl
Fixed string var expansion in CMake due to CMP0053
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2014-09-01
Magnus Lundborg
TNG: Handle large files on 32 bit systems.
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2014-09-01
Justin Lemkul
Updated x-axis label for g_wham.
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2014-09-01
Magnus Lundborg
When writing TNG include file closing in wallcycle.
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2014-09-01
Mark Abraham
Fix and document issues with template.cpp
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-09-01
Mark Abraham
Fixes and updates to BlueGene/Q support
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2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-08-31
Erik Lindahl
Added negative zero preprocessor constants
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2014-08-30
David van der...
Fixes issue with vsiten and verlet buffers.
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2014-08-29
Mark Abraham
Version bump after 4.6.7
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2014-08-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-08-28
Berk Hess
Fixed two PME issues with MPI+OpenMP
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2014-08-25
Berk Hess
Fixed bugs in vsiteN with OpenMP
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2014-08-25
Roland Schulz
Merge release-5-0 into master
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2014-08-24
Berk Hess
Initialize unused velocity constraint components
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2014-08-24
Teemu Murtola
Precalculate pbc shift for analysis nbsearch
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2014-08-24
Teemu Murtola
Improve analysis nbsearch grid mapping
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2014-08-23
Teemu Murtola
Backport of 'Remove unused figures from share/html/'
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2014-08-23
Mark Abraham
Generalize markdown configuration machinery
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2014-08-23
Mark Abraham
Unify documentation for webpage build
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2014-08-22
Mark Abraham
Fix zlib usage with TNG
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2014-08-22
Teemu Murtola
Move -nice handling to CommandLineModuleManager
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2014-08-21
Magnus Lundborg
Fixed TNG memory alignment problem and reset pointers.
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2014-08-21
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-08-20
Teemu Murtola
Misc. gmxpre.h-related changes
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2014-08-20
Teemu Murtola
Merge release-5-0 into master
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2014-08-20
Erik Lindahl
Add _GNU_SOURCE=1 to find clone() with PGI
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2014-08-20
Roland Schulz
Change error to warning for missing OMP_NUM_THREADS
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2014-08-20
Erik Lindahl
Fix matrix pointer dereference bug in update.c
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2014-08-20
Erik Lindahl
Enable SIMD register calling convention with gmx_simdcall
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2014-08-20
Erik Lindahl
Add cycle counters for 64-bit ARM
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2014-08-20
Erik Lindahl
Shorten plugin configuration message
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