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Merge branch release-5-0 into release-5-1
2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-07
Mark Abraham
Avoid more C++ bindings for MPI
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2016-01-07
Mark Abraham
Stop using UNDEFINED as name of a symbol
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2016-01-07
Mark Abraham
Backport md-vv fixes
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2015-12-29
Berk Hess
Correct vector check of gmx check
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2015-12-27
Mark Abraham
Fix some OpenCL issues
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-08
Mark Abraham
Fix Trotter integration
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2015-11-25
Elton Carvalho
Rotate Figure 8.2 in manual.
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2015-11-24
Mark Abraham
Fix error in multi-sim communication
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2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
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2015-11-10
Mark Abraham
Bump patch version to prepare for 5.1.2
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2015-11-04
Mark Abraham
Version 5.1.1
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2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
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2015-10-15
Szilárd Páll
Add CUDA nvcc >=7.0 support
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-14
Mark Abraham
Version bumps after release
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2015-10-14
Mark Abraham
Version 5.0.7
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2015-10-13
Mark Abraham
Merge branch release-4-6 into release-5-0
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2015-10-07
Mark Abraham
Fixed FFTW detection status message location
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2015-10-05
Mark Abraham
Merge release-5-0 into release-5-1
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2015-09-26
Mark Abraham
Fix reaction-field warning message
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2015-09-16
Szilard Pall
Fix OpenCL build
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2015-08-19
Mark Abraham
Harden FindSphinx.cmake
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2015-08-14
Mark Abraham
Bump patch version to prepare for 5.1.1
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2015-08-14
Mark Abraham
Version 5.1
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2015-08-14
Berk Hess
Make mdrun -nt work again
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2015-08-13
Mark Abraham
Make it easier to find selection help
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2015-08-12
Mark Abraham
Add documentation for energygrps with GPUs
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2015-08-11
Mark Abraham
Abort if PME tuning is active and counters reset
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2015-08-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-08-08
Mark Abraham
Fix docs of ftypes of dihedrals
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2015-08-04
Mark Abraham
Merge release-5-0 into release-5-1
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2015-08-03
Mark Abraham
Fix possible linking of libxml2 to zlib
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2015-07-26
Mark Abraham
Merge branch release-5-0 into release-5-1
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2015-07-26
Mark Abraham
Version bumps after new release
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2015-07-24
Mark Abraham
Version 5.0.6
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2015-07-06
Mark Abraham
First 5.1 release candidate
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2015-07-06
Berk Hess
Fix too small GPU pair count estimates
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2015-07-06
Berk Hess
Fix bug in GPU list balancing
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2015-06-29
Mark Abraham
Merge branch release-5-0
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2015-06-29
Mark Abraham
Documented build types in developer guide
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2015-06-29
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-29
Mark Abraham
Fix all use of nbnxn_simd.h
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2015-06-27
Berk Hess
Improve pair search thread load balance
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2015-06-27
Mark Abraham
Merge release-5-0 into master
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2015-06-26
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-25
Erik Lindahl
Fix edr appending and exact continuation
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2015-06-25
Erik Lindahl
Fix binary exact continuation for trajectories
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2015-06-25
Mark Abraham
Merge release-5-0 into master
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2015-06-24
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-15
Rossen Apostolov
Building own fftw now uses version 3.3.4
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2015-06-12
Mark Abraham
Fix commandline test data
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2015-06-09
Mark Abraham
Merge branch release-4-6 into release-5-0
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2015-06-09
Teemu Murtola
Resolve one TODO for command line help tests
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2015-05-28
Teemu Murtola
Improve lists in user guide for selections
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2015-05-26
Mark Abraham
Convert ewald module to C++
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2015-05-26
Mark Abraham
Fix use of hard-coded temporary filename
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2015-05-19
Mark Abraham
Add checks for correct use of SIMD headers.
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2015-05-17
Mark Abraham
Merge branch origin/release-5-0
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2015-05-15
Szilard Pall
Assert the size of non-bonded GPU work units
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2015-05-13
Mark Abraham
Version bumps after new release
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2015-05-13
Mark Abraham
Version 5.0.5
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2015-05-12
Rossen Apostolov
Added a note about sc-coul being auto turned on.
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2015-05-09
Mark Abraham
Merge branch release-5-0
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2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
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2015-04-30
Mark Abraham
Move GPU implementation to new interface
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2015-04-23
Mark Abraham
First beta release of 5.1
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2015-04-09
Mark Abraham
Merge branch release-5-0
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2015-04-08
Mark Abraham
Update mdrun Doxygen
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2015-04-08
Mark Abraham
Made pme_work_t opaque
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2015-03-30
Erik Lindahl
Quote from Szilard's talk at GTC2015
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2015-03-19
Mark Abraham
Made error message more generic
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2015-03-19
Mark Abraham
Extend Force sub-counters
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2015-03-04
Berk Hess
Allow pull groups of 1 atom with mass 0
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2015-03-03
Roland Schulz
nbnxn utils performance improvement for Phi
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2015-03-03
Mark Abraham
Move mdrun signalling code
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2015-03-02
Mark Abraham
Run replica-exchange tests with MPI enabled
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2015-02-25
Mark Abraham
New and reorganized documentation
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2015-02-24
Ake Sandgren
The test for HAVE_CXX11_REGEX fails since it doesn...
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2015-02-24
Ake Sandgren
Checks should use correct CMAKE_REQUIRED_ variables
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2015-02-24
Erik Lindahl
Added AVX-512ER SIMD support
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2015-02-13
Mark Abraham
Fix mdrun-only build
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2015-02-13
Teemu Murtola
Replace more [BR] with rst bullet lists
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2015-02-13
Teemu Murtola
Move flow chart from old-html to Sphinx
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2015-02-13
Teemu Murtola
Make (most) HTML links to file formats work again
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2015-02-13
Teemu Murtola
Convert file format descriptions to rst
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2015-02-04
Mark Abraham
Implement user guide
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2015-02-02
Mark Abraham
Merge branch release-5-0
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2015-02-02
Mark Abraham
Avoid near-silent generation of zero energies
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2015-01-23
John Baxter
Cleans up steepest descent initial potential hack
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2015-01-23
Mark Abraham
Update FindCUDA work-around
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2015-01-22
John Baxter
Changed "struct swap" to "struct t_swap"
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2015-01-20
Mark Abraham
Removed gmx_header_config.h
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2015-01-15
Mark Abraham
Merge branch release-5-0
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2015-01-08
Mark Abraham
Handle ivec* correctly in DD error message
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2015-01-05
Teemu Murtola
Support subset of rvec array as input for analysis...
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2014-12-15
Mark Abraham
Merge branch 'release-5-0'
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2014-12-15
Mark Abraham
Removing iteration + constraints framework
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2014-12-15
Mark Abraham
Version bumps after new release
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