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Moved FFT library processing to separate module
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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2013-12-08
Roland Schulz
Avoid build error if CFLAGS contain quotes
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2013-12-02
Szilard Pall
remove legacy CUDA non-bonded kernels
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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
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
Mark Abraham
Add machinery for integration tests
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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
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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2013-11-26
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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2013-11-19
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
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
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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2013-11-13
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
Teemu Murtola
Upgrade Doxygen layout to 1.8.5.
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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 Spoel
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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2013-11-05
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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2013-10-31
Mark Abraham
Rename GMX_IS_* to GMX_TARGET_*
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2013-10-31
Teemu Murtola
Move more timing routines into timing/.
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2013-10-30
Mark Abraham
Silence warnings about scanner.cpp
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2013-10-30
Alexey Shvetsov
nbnxn_kernels: Clean up -Wunused-parameter warnings
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2013-10-30
Teemu Murtola
Markup substitution through HelpWriterContext.
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2013-10-30
Mark Abraham
Merge "Merge release-4-6 into master"
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2013-10-29
Alexey Shvetsov
mdlib: Clean up -Wunused-parameter warnings
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2013-10-29
Berk Hess
corrected volume with serial NPT replica exchange
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2013-10-29
Mark Abraham
Renamed and removed last references to GMX_CRAY_XT3
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2013-10-29
Magnus Lundborg
Fixed memory leak in gmxdump.
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2013-10-28
Berk Hess
improved the nbnxn buffer size estimate with GPUs
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2013-10-28
Teemu Murtola
Overview Doxygen pages for analysis framework.
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2013-10-28
Teemu Murtola
Some overview content for Doxygen documentation.
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2013-10-28
Teemu Murtola
Misc. Doxygen updates for src/gromacs/utility/.
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2013-10-28
Mark Abraham
Create fileio module
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2013-10-28
Teemu Murtola
Simplify code structure for C++ analysis tools
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2013-10-26
Mark Abraham
Cleaned up run time measurement
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2013-10-26
Mark Abraham
Added documentation for gmx_runtime_t struct
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2013-10-20
Teemu Murtola
Remove useless warnings from Doxygen logs.
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2013-10-18
Mark Abraham
BlueGene/Q Verlet cut-off scheme kernels
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2013-10-18
Mark Abraham
Call atomics from TestAtomic.c
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2013-10-18
Roland Schulz
Fix tMPI_Atomic_memory_barrier for MIC
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2013-10-17
Mark Abraham
Move mdrun trajectory writing into wrapper function
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2013-10-17
Mark Abraham
Fix typo in g_membed documentation
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2013-10-17
Roland Schulz
Fix SIMD C reference nbnxn kernels
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2013-10-17
Michael Shirts
Restarting from checkpoint no longer reinitializes...
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2013-10-16
Teemu Murtola
Remove latex help export.
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2013-10-16
Mark Abraham
Move manual repo into code repo, and make it build
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2013-10-16
Berk Hess
avoid division by zero in SIMD angles and dihedrals
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2013-10-16
Michael Shirts
turning off expanded ensemble for all integrators but...
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2013-10-16
Berk Hess
fixed a half bin misalignment in gmx_vanhove -or
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2013-10-16
Michael Shirts
Fixes a problem with pair type 2 interactions with...
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2013-10-15
Szilard Pall
make use of CUDA stream priorities
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2013-10-15
Teemu Murtola
Fix/improve installation directory logic.
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2013-10-11
Berk Hess
introduced general 4-wide SIMD support
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2013-10-10
Mark Abraham
Introduced MPI initialization counter
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2013-10-07
Teemu Murtola
HTML export from the wrapper binary.
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2013-10-04
Mark Abraham
Further consolidation of commrec initialization
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2013-10-04
Mark Abraham
More consolidation of MPI initialization
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2013-10-04
Teemu Murtola
Reorganize static/shared library management.
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2013-10-03
Teemu Murtola
CMake helper for tracking cache variable changes.
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2013-10-03
Teemu Murtola
Remove unused shift_util.c.
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2013-10-03
Teemu Murtola
Improve diagnostics with empty selections.
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2013-10-03
Teemu Murtola
Man page export from the wrapper binary.
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2013-10-03
Teemu Murtola
Use filenm.c data for FileNameOption.
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2013-10-03
Teemu Murtola
Fix warnings with Doxygen 1.8.5.
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