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alexxy/gromacs.git
2014-08-23
Mark Abraham
Generalize markdown configuration machinery
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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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2014-08-20
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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2014-08-18
Roland Schulz
Add Intel command line warning
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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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2014-08-16
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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2014-08-10
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
Roland Schulz
Merge release-4-6 into release-5-0
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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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2014-08-04
Teemu Murtola
Verify MD5 sum for FFTW download
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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
Berk Hess
Avoid division by 0 in nbnxn_search
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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
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
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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2014-07-23
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
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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2014-07-11
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
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
Fix Cygwin build
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2014-07-08
Erik Lindahl
Make IEEE754 check more robust
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2014-07-08
Teemu Murtola
Make selections ignore \r in input
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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
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
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
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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2014-06-29
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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2014-06-29
Mark Abraham
Convert install guide to markdown
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2014-06-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-06-29
Berk Hess
Updated LJ-PME documentation
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2014-06-29
Rossen Apostolov
Use cosistent style when referring to force fields.
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2014-06-29
Teemu Murtola
Remove some hardcoded selection string buffers
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2014-06-29
Roland Schulz
Merge release-4-6 into release-5-0
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2014-06-29
Roland Schulz
Fix detection of i386 in tmpi
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2014-06-29
Erik Lindahl
Enable rtp angle/dihedral entries not connected by...
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2014-06-29
Michael Shirts
Allow printing potential energies to dhdl.xvg file
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2014-06-29
David van der...
Fixes #1532, SEGV in g_current.
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2014-06-29
Roland Schulz
Merge "Merge branch 'release-4-6' into release-5-0...
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2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-06-28
Roland Schulz
Fix error for no 64bit file support
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2014-06-28
Erik Lindahl
Fixed CMAP generation for alanine dipeptide special...
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2014-06-28
Magnus Lundborg
Update TNG build system
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2014-06-28
Mark Abraham
Use parallel terminology more consistently
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2014-06-28
ngoga
Default SD integrator is now sd1 by Nicu Goga
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2014-06-28
Teemu Murtola
Remove overeager selection index group check
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2014-06-28
Roland Schulz
Another MacOSX rpath fix
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2014-06-27
Roland Schulz
Merge release-4-6 into release-5-0
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2014-06-27
Erik Lindahl
Always set b-state posres, even if identical to a-state
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2014-06-27
Erik Lindahl
Update g_density to handle bilayers better
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2014-06-27
Erik Lindahl
Fix LJPME Lorentz-Berthelot combination rules
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2014-06-27
Rossen Apostolov
Changed linking order to make Extrae work.
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2014-06-27
Erik Lindahl
Improve PDB I/O (keep occupancy, b-factor, element)
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2014-06-27
Carsten Kutzner
Remove obsolete pull-geometry option 'position' from...
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2014-06-27
Roland Schulz
Fix Phi Platform file for MPI
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2014-06-27
Erik Lindahl
Avoid warnings about coupling when free_energy=no
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2014-06-27
Rossen Apostolov
Added information about dihedral restraints.
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2014-06-27
Rossen Apostolov
Remove install_manifest.txt during make clean.
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2014-06-26
Roland Schulz
Fix Visual Studio Project build
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2014-06-26
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-06-26
Roland Schulz
Merge release-4-6 into release-5-0
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2014-06-26
Roland Schulz
Fix MacOSX rpath
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