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alexxy/gromacs.git
2014-08-17
Mark Abraham
Remove mdrun -seppot
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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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2014-08-16
Roland Schulz
Merge release-5-0 into master
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2014-08-15
Carsten Kutzner
Fixed output of eigenvalues in g_covar. Fixes #1575
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2014-08-14
Berk Hess
Corrected SIMD math overflow documentation
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2014-08-14
Teemu Murtola
Fix CMake package config after recent version changes
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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
Make internal BLAS/LAPACK messages less noisy
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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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2014-08-10
Teemu Murtola
Improve initAfterFirstFrame() usability
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2014-08-10
Teemu Murtola
Make vec.h const-correct with both C and C++
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2014-08-10
Teemu Murtola
Basic exclusion support for analysis nbsearch
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2014-08-10
Roland Schulz
Merge release-4-6 into release-5-0
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2014-08-09
Teemu Murtola
Add Selection::hasOnlyAtoms()
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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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2014-08-07
Teemu Murtola
Basic support for 2D neighborhood search for analysis
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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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2014-08-04
Teemu Murtola
Verify MD5 sum for FFTW download
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2014-08-03
Teemu Murtola
Check frame atom count before evaluating selections
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2014-08-02
Berk Hess
Fixed PME bug with high OpenMP thread count
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2014-08-01
Erik Lindahl
Added tests for denormal and underflow for simd exp()
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2014-07-31
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-07-31
Roland Schulz
Replace most strdup with gmx_strdup
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2014-07-31
Roland Schulz
Merge release-5-0 into master
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2014-07-31
Berk Hess
Avoid division by 0 in nbnxn_search
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2014-07-29
Mark Abraham
Converted md_support.c to C++
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2014-07-28
Christian Wennberg
Fix overflow in LJ-PME nbnxn kernels
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2014-07-28
Roland Schulz
Merge "Merge release-5-0 into master"
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2014-07-28
Roland Schulz
Merge release-5-0 into master
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2014-07-28
Roland Schulz
Fix build of binary package
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2014-07-28
Roland Schulz
Add unit test for random/Threefry
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2014-07-28
Roland Schulz
Remove Random123/features
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2014-07-27
Roland Schulz
Remove individual cuda libraries
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2014-07-27
Roland Schulz
Remove memtest
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2014-07-27
Erik Lindahl
Fix selection of xtc groups not starting at index 0
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2014-07-25
Roland Schulz
Workaround for ICC 14 bug
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2014-07-24
Roland Schulz
Fix Cygwin+Shared-Libs+FFTW
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2014-07-24
Teemu Murtola
Do not actually install uniqueptr.h
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2014-07-23
Roland Schulz
Add support for int64 in refdata
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2014-07-22
Roland Schulz
Fix GMX_BUILD_OWN_FFTW for Cygwin
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2014-07-21
Roland Schulz
Fix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS
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2014-07-16
Mark Abraham
Quiet gcc-4.8 warnings about unused results
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2014-07-16
Teemu Murtola
Fix HTML help and man pages for commands with dashes
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2014-07-13
Erik Lindahl
Avoid clang/32 optimization affecting IEEE endian detection
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2014-07-12
Teemu Murtola
Make gmx_node_num/rank safer
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2014-07-11
Erik Lindahl
Make AVX2 check more robust
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2014-07-11
Teemu Murtola
Fix HTML links that contain file extensions
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2014-07-10
Teemu Murtola
Bump SOVERSION
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2014-07-10
Roland Schulz
Fix xml2 link check rerun
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2014-07-09
Mark Abraham
Name the tarball how we like it
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2014-07-09
Mark Abraham
Quieten repeated cmake runs
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2014-07-09
Roland Schulz
Add comments for code with race condition
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2014-07-09
Teemu Murtola
Clean up gmx_header_config
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2014-07-09
Teemu Murtola
Merge release-5-0 into master
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2014-07-09
Roland Schulz
Fix Cygwin build
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2014-07-09
Roland Schulz
Remove all unnecessary HAVE_CONFIG_H
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2014-07-09
Teemu Murtola
Improve module dependency graph layout
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2014-07-09
Teemu Murtola
Module dependency cycle checker for 'doc-check'
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2014-07-08
Erik Lindahl
Make IEEE754 check more robust
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2014-07-08
Teemu Murtola
Remove PCA_QUIET
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2014-07-08
Teemu Murtola
Additional index group checks for selections
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2014-07-08
Teemu Murtola
Clean up program name handling in oenv
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2014-07-08
Teemu Murtola
Improve FileNameOption error handling
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2014-07-08
Teemu Murtola
Move GMX_CXX11 to config.h
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2014-07-08
Teemu Murtola
Remove gmx_unique_ptr from options public headers
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2014-07-08
Teemu Murtola
Make selections ignore \r in input
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2014-07-08
Teemu Murtola
Remove selection help from SelectionCollection
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2014-07-08
Teemu Murtola
Change some gmx_unique_ptr to shared_ptr in public...
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2014-07-08
Mark Abraham
Remove bOK from MD loop
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2014-07-08
Teemu Murtola
Move -debug to cmdlinemodulemanager.cpp
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2014-07-08
Teemu Murtola
Make doc-check pass again without warnings
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2014-07-07
Mark Abraham
Fix tarball and install, particularly for INSTALL
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2014-07-07
Mark Abraham
Version bump after 4.6.6 release
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2014-07-05
Teemu Murtola
Merge release-5-0 into master
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2014-07-05
Magnus Lundborg
Fix bug causing reading next frame not to stop.
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2014-07-05
Magnus Lundborg
Fix tng_num_frame_sets_get() with no frame sets.
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2014-07-05
Teemu Murtola
Reinstantiate unsorted index group check
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2014-07-05
David van der...
Fixed inconsistency in blocka handling.
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2014-07-05
Roland Schulz
Add running tests to install-guide
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2014-07-05
Teemu Murtola
Update some installation-related docs
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2014-07-01
Roland Schulz
Add support for int64 in refdata
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2014-07-01
Teemu Murtola
Adjust include directory order for some corner cases
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2014-07-01
Mark Abraham
Fix GMock to work on MSVC
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2014-06-30
Teemu Murtola
Merge release-5-0 into master
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2014-06-29
Mark Abraham
Version bump for 5.0
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2014-06-29
Mark Abraham
Add forgotten licenses to COPYING
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2014-06-29
Mark Abraham
Refer to "mixed" precision in user-facing documentation
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2014-06-29
Berk Hess
Take LJ-PME into account for table spacing
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2014-06-29
Erik Lindahl
Fixed free energy with LJ-PME
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