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alexxy/gromacs.git
2013-12-30
Teemu Murtola
More robust shell detection in GMXRC
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2013-12-30
Teemu Murtola
Initialize default index groups for C++ tools
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2013-12-29
Teemu Murtola
Minor vec.h cleanup
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2013-12-29
Teemu Murtola
Fix pkgconfig flags with internal Boost
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2013-12-29
Teemu Murtola
Reset SOVERSION for libgromacs
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2013-12-28
Teemu Murtola
Change use of compiler flags with GPU + C++11
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2013-12-28
Teemu Murtola
Move bin/lib suffix management into separate file.
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2013-12-24
Teemu Murtola
Move shell completion things into a separate file
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2013-12-24
Teemu Murtola
Get rid of set_default_file_name()
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2013-12-24
Roland Schulz
Rename remaining large_int to int64
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2013-12-23
Roland Schulz
Replace gmx_large_int_t with gmx_int64_t
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2013-12-21
Teemu Murtola
Move parse_common_args() into commandline/pargs.*
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2013-12-21
Teemu Murtola
Move pargs.cpp into src/gromacs/commandline/
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2013-12-21
David van der...
More Nobel quotes and others
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2013-12-20
Teemu Murtola
Move Program() and ShortProgram() into copyrite.h
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2013-12-20
Teemu Murtola
Clean up trajectory time control
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2013-12-20
Christoph Junghans
re-add Carsten & me to the copyrite
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2013-12-18
Teemu Murtola
Clean up old command line parsing
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2013-12-17
Erik Lindahl
Added a bunch of quotes from the 2013 Nobel lectures
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2013-12-16
Erik Lindahl
Moved shared/static library detection to separate module
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2013-12-16
Erik Lindahl
Moved FFT library processing to separate module
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2013-12-16
Erik Lindahl
Moved compiler problem detection into separate module
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2013-12-16
Erik Lindahl
Moved OpenMP detection to separate file.
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2013-12-08
Roland Schulz
Avoid build error if CFLAGS contain quotes
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2013-12-08
Teemu Murtola
Don't create symlinks in the build tree
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2013-12-05
Mark Abraham
Version bump after 5.0-beta1 release
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2013-12-05
Mark Abraham
Fix administrivia
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2013-12-04
Teemu Murtola
Fix test build with GMX_BUILD_MDRUN_ONLY
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2013-12-03
Berk Hess
Removed restriction of one reference pull group
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2013-12-02
Szilard Pall
remove legacy CUDA non-bonded kernels
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2013-12-02
Berk Hess
Made cutoff-scheme=Verlet the default
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2013-12-02
Berk Hess
Renamed verlet-buffer-drift to verlet-buffer-tolerance
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2013-12-02
Roland Schulz
Merge "Merge branch 'release-4-6'"
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2013-12-02
Christian Wennberg
Calculating LJ-interactions using Particle mesh Ewald
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2013-12-02
Mark Abraham
Merge branch 'release-4-6'
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2013-12-02
Teemu Murtola
Remove remaining uses of programs.txt
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2013-12-02
Teemu Murtola
Uniform behavior for 'make man' and 'make html'
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2013-12-02
Teemu Murtola
Fix [CHEVRON]/[chevron] for HTML output
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2013-12-02
Roland Schulz
Replace SUM_SIMD with gmx_sum_simd
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2013-12-01
Teemu Murtola
Remove GMX_DOUBLE from config.h
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2013-12-01
Teemu Murtola
Don't install headers depending on GMX_INTERNAL_XDR
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2013-12-01
Teemu Murtola
Document how to add C++ tools
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2013-12-01
Mark Abraham
Fix scope and naming of some variables
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2013-12-01
Mark Abraham
Turn on -Wunused-parameter where applicable
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2013-12-01
Berk Hess
Fixed zero hardware thread count
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2013-12-01
Teemu Murtola
Adjust more copyright headers
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2013-11-30
Alexey Shvetsov
Fix -Wstrict-overflow in domdec.c
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2013-11-30
Mark Abraham
Add machinery for integration tests
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2013-11-29
Berk Hess
Created SIMD module
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2013-11-29
Teemu Murtola
Remove unused config.h defines
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2013-11-29
Teemu Murtola
Remove obsolete FindGit.cmake
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2013-11-29
Teemu Murtola
Make help texts refer to gmx-something
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2013-11-28
Teemu Murtola
Move gmx_omp.* into src/gromacs/utility/
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2013-11-28
Rossen Apostolov
Updated to gmock-1.7.0
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2013-11-28
Teemu Murtola
Generate gromacs.7 from the wrapper binary
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2013-11-28
Teemu Murtola
Fix some #include problems.
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2013-11-28
Mark Abraham
Remove IMD manual section
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2013-11-28
Teemu Murtola
Uniform headers in HTML pages
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2013-11-27
Teemu Murtola
Remove unused gmx_membed.c
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2013-11-27
Mark Abraham
Fix strange character in manual
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2013-11-26
Berk Hess
Fixed return value of gmx_mtop_bondeds_free_energy
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2013-11-26
Teemu Murtola
Remove #ifdef GMX_THREAD_MPI for basic thread safety.
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2013-11-26
Mark Abraham
Moved gromos87 writing code into fileio module
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2013-11-26
Mark Abraham
Add license for Sun XDR routines
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2013-11-20
Teemu Murtola
Update copyright headers in kernels.
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2013-11-20
Teemu Murtola
Update copyright headers in generated kernels.
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2013-11-20
Teemu Murtola
Script to automatically update copyright
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2013-11-19
Teemu Murtola
Add some missing copyright headers.
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2013-11-19
Szilárd Páll
Fix DD load balancing bug with GPU sharing
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2013-11-19
Mark Abraham
Fix incorrect variable name in documentation
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2013-11-19
Teemu Murtola
Add back mechanism for cross-tool hyperlinks.
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2013-11-18
Mark Abraham
Bump CMake requirement to 2.8.8
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2013-11-17
Teemu Murtola
Reformat existing LGPL copyright notices.
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2013-11-17
Teemu Murtola
Move binary directory search to ProgramInfo.
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2013-11-17
Teemu Murtola
Remove more obsolete content from share/html.
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2013-11-17
Teemu Murtola
Allow copying of HelpWriterContext.
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2013-11-16
Teemu Murtola
Add listing of programs by topic to HTML output.
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2013-11-16
Teemu Murtola
Some module dependency cleanup.
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2013-11-16
Teemu Murtola
Reorganize help writing code.
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2013-11-16
Teemu Murtola
Make gmx-gangle more flexible with multiple angles
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2013-11-16
Teemu Murtola
Turn on most -Wunused warnings for C++ code.
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2013-11-15
Teemu Murtola
Consistently handle NULL at argv[argc].
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2013-11-15
Erik Lindahl
Merge "Merge branch release-4-6"
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2013-11-15
Teemu Murtola
Simplify GMX_X11 handling.
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2013-11-15
Mark Abraham
Merge branch release-4-6
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2013-11-15
Berk Hess
corrected potential nbnxn SIMD memory issue
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2013-11-13
Mark Abraham
Bump version after 4.6.4 release
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2013-11-13
Mark Abraham
Fix minor things before release
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2013-11-13
Szilard Pall
Clarified GPU selection output and mdrun help
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2013-11-12
Roland Schulz
Added rotation to the tests run by ctest
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2013-11-12
Teemu Murtola
Upgrade Doxygen layout to 1.8.5.
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2013-11-08
Berk Hess
fix nbnxn atom sorting with distant bondeds
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2013-11-08
Mark Abraham
Fix malformed CMake
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2013-11-07
Berk Hess
corrected dynamic load balancing when sharing GPUs
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2013-11-07
David van der...
12 new quotes
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2013-11-07
Marcus D. Hanwell
Added enumeration of valid build types for CMake GUI
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2013-11-06
Szilard Pall
enable GPU sharing among tMPI ranks
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2013-11-05
Berk Hess
GPU detection is done once per physical node
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2013-11-05
Berk Hess
removed (harmless) left-over in nbnxn SIMD kernels
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2013-11-01
Mark Abraham
Added gmx_omp_nthreads_set for use in testing
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