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Converted swap module to C++.
2014-09-26
Rossen Apostolov
Converted swap module to C++.
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2014-09-23
Mark Abraham
Renamed bonded module as 'listed-forces'
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2014-09-23
Mark Abraham
Refactor mdrun integration tests
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2014-09-23
Roland Schulz
Fix ICC warnings
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2014-09-23
Teemu Murtola
Generate man pages and completions by default if possible
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2014-09-22
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-20
Teemu Murtola
Remove duplication in version info target creation
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2014-09-20
Erik Lindahl
Added a bunch of new and old quotes.
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2014-09-20
Teemu Murtola
Fix patterns for .gitattributes
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2014-09-20
Roland Schulz
Minor performance improments
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2014-09-19
Teemu Murtola
Proper dependencies for Doxygen build rules
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2014-09-19
Teemu Murtola
Fix histogram resampling output bin positions
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2014-09-19
Teemu Murtola
Embed module dependency graph in Doxygen docs
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2014-09-19
Teemu Murtola
More precise analysisdata histogram accumulation
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2014-09-19
Teemu Murtola
Misc. Doxygen build system improvements
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2014-09-18
Roland Schulz
Fix double linkage for tests
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2014-09-17
Roland Schulz
Add missing quotes
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2014-09-17
Roland Schulz
Fix shared libs for Mingw
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2014-09-16
Roland Schulz
Fix warnings for ICC 15
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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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2014-09-11
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
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 Spoel
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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2014-09-09
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
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
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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2014-09-04
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
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
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
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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2014-09-01
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 "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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2014-08-28
Berk Hess
Fixed two PME issues with MPI+OpenMP
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2014-08-24
Berk Hess
Initialize unused velocity constraint components
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2014-08-24
Teemu Murtola
Improve analysis nbsearch grid mapping
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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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2014-08-21
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
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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2014-08-17
Roland Schulz
Remove check that auto-generated files exist
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2014-08-17
Erik Lindahl
Fix Portland compiler warnings
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2014-08-17
Berk Hess
Halved the cost of the pull communication
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2014-08-17
Roland Schulz
Don't build tests until they are run
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2014-08-17
Roland Schulz
Use full path for legacyheaders
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2014-08-16
Mark Abraham
Fix gmx tune_pme with LJ-PME
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2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
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2014-08-16
Teemu Murtola
Disable analysisdata generic tests if not compilable
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2014-08-14
Berk Hess
Corrected SIMD math overflow documentation
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2014-08-13
Teemu Murtola
Use native CMake mechanism for find_package(GROMACS)
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2014-08-13
Teemu Murtola
Reorganize CMake version information management
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2014-08-11
Roland Schulz
Move some verlet headers to mdlib
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2014-08-11
Mark Abraham
Add depressing quote
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2014-08-11
Stefan Fleischmann
Avoid stack overflow on Windows with CMake > 2.8.10.2
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2014-08-10
Erik Lindahl
Improve Gromacs portability
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2014-08-10
Erik Lindahl
Replace __LP64__ with check for pointer size
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2014-08-10
Berk Hess
Added checks for TPI + Verlet scheme
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2014-08-10
Roland Schulz
Check MD5sum for regressiontest
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2014-08-07
Erik Lindahl
Fix portability issue with ArrayRef initializer overloading
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2014-08-07
Erik Lindahl
Changed names of test files to avoid Fujitsu compiler bug
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2014-08-05
Berk Hess
Fix hang with LJ-PME and empty domains
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2014-08-05
Roland Schulz
Workaround for ICC 14
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2014-08-01
Erik Lindahl
Added tests for denormal and underflow for simd exp()
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