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alexxy/gromacs.git
2014-10-12
Maxim Koltsov
Add initial support for python bindings
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2014-10-09
Mark Abraham
Fixed minor issue with NPT conserved energy
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2014-10-09
Mark Abraham
Clean up cshake() and resolve old issues
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2014-10-05
Roland Schulz
Allow runAsMainSingleModule to be called more than...
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2014-10-03
Mark Abraham
Move pair-interaction code into listed-forces module
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2014-10-03
Teemu Murtola
More robust handling for installed headers
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2014-10-03
Mark Abraham
Unite code for handling listed pairs
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2014-10-01
Mark Abraham
Merge release-5-0 into master
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2014-10-01
Mark Abraham
Version bumps after new release
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2014-10-01
Mark Abraham
Version 5.0.2
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2014-10-01
Carsten Kutzner
Allow gmx tune_pme to skip the check for command-line...
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2014-09-30
Erik Lindahl
Add Power8 VSX SIMD support
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2014-09-30
Szilard Pall
Fix incorrect LJ cut-off with GPU + PME tuning
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2014-09-30
Berk Hess
Avoid DLB with overloaded PME ranks
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2014-09-30
Berk Hess
Added GPU local wait to load balancing
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2014-09-30
Erik Lindahl
Avoid using function calls in OpenMP directives
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2014-09-29
Berk Hess
Domain decomposition now checks the rlist buffer
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2014-09-29
Roland Schulz
Clarify GCC+Win+AVX warning
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2014-09-29
Berk Hess
SIMD acceleration for RB dihedrals
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2014-09-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-09-29
Berk Hess
Avoid PME tuning decreasing rcoulomb
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2014-09-29
Roland Schulz
Merge release-4-6 into release-5-0
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2014-09-29
Berk Hess
Fix calc_grid avoiding PME grid factor 84
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2014-09-26
Rossen Apostolov
Converted swap module to C++.
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2014-09-26
Szilárd Páll
Fix incorrect assertion statement
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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
David van der...
Fixes potential bug in neighborsearching.
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2014-09-23
Teemu Murtola
Reorganize CPack management
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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
Mark Abraham
More quotes
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2014-09-22
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-22
Roland Schulz
Fix message about incorrect usage of dihedral type 9
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2014-09-22
Erik Lindahl
More quotes
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2014-09-21
Roland Schulz
Merge release-5-0 into master
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2014-09-21
Teemu Murtola
Introduce a variable to identify in-source build
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2014-09-21
Teemu Murtola
Skip man/html/completion generation if not needed
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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
Fix RelWithDebInfo name bugs, and use full optimization.
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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
Add support for cumulative histograms
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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
Erik Lindahl
Add Power/PowerPC VMX SIMD support
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2014-09-18
Mark Abraham
Merge branch release-4-6 into release-5-0
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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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2014-09-17
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
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
Szilárd Páll
Fix malformed CUDA version macro check
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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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