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alexxy/gromacs.git
2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-08
Berk Hess
Fix PME load balancing skipping a setup
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2016-01-07
Mark Abraham
Avoid more C++ bindings for MPI
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2016-01-07
Mark Abraham
Document how potential-switch works
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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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2015-12-26
Szilard Pall
Improve documentation on OpenCL issue with NVIDIA
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2015-12-19
Berk Hess
Bring performance estimation up to date
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2015-12-12
Mark Abraham
Require Nose-Hoover with MTTK
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2015-12-12
Christoph Junghans
AdResS: lost performance tweak
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2015-12-11
Berk Hess
Fix bug with pull group weights
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2015-12-11
Mark Abraham
Stop global communication depending on integrator
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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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2015-11-19
Berk Hess
Removed mdrun fatal_error with P3M-AD
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2015-11-17
Carsten Kutzner
Fixed -npstring command line argument in gmx tune_pme
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2015-11-14
Mark Abraham
Fix walltime measurement with bgclang
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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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2015-11-09
Berk Hess
Correct LINCS dHdl contribution
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2015-11-04
Mark Abraham
Version 5.1.1
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2015-11-04
Szilard Pall
Tweak NVML-related messages
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2015-11-02
Berk Hess
Fix intermolecular interactions with small mols
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2015-11-02
Szilard Pall
Fix signal type
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2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
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2015-10-24
Szilard Pall
Avoid using incompatible NVML version
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2015-10-22
Szilard Pall
Quiet FindNVML
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2015-10-22
Teemu Murtola
Use include_directories(SYSTEM ...) consistently
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2015-10-22
Erik Lindahl
Merge "Merge release-5-0 into release-5-1" into release-5-1
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2015-10-19
Mark Abraham
Fix cycle subcounters
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2015-10-18
Justin Lemkul
Removed dihedrals from GLY .rtp entry.
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2015-10-15
Szilárd Páll
Add CUDA nvcc >=7.0 support
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2015-10-15
Szilárd Páll
Correct CUDA version comparisons
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2015-10-15
Berk Hess
Fixed nbnxn_4xN performance regression
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2015-10-15
Szilard Pall
Fix reset error message
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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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2015-10-14
Teemu Murtola
Make bash completions work with bash --posix
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2015-10-13
Mark Abraham
Merge branch release-4-6 into release-5-0
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2015-10-12
Michael Shirts
Fix for lack of COM removal for md-vv
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2015-10-07
Berk Hess
Fix bugs with intermol interactions and DD
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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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2015-10-03
Mark Abraham
Fix FindFFTW behaviour
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2015-10-03
Mark Abraham
Fix mdrun -nb auto -rerun with GPU and energy groups
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2015-10-02
Teemu Murtola
Fix -seltype option for C++ tools
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2015-10-02
Carsten Kutzner
Fixed a bug in computational electrophysiology with DD
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2015-09-29
David van der...
Fixes bug in the computation of Coefficient of Thermal...
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2015-09-26
Mark Abraham
Fix reaction-field warning message
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2015-09-17
Szilard Pall
Fix broken OpenCL detection
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2015-09-16
Szilard Pall
Fix OpenCL build
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2015-09-15
Berk Hess
Detect incorrect cycle counting
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2015-09-06
Mark Abraham
Add GROMACS 5 paper to paper lists
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2015-09-02
Béla Voß
Avoid integer overflow in gmx_wham by using gmx_int64_t.
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2015-08-19
Mark Abraham
Harden FindSphinx.cmake
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2015-08-18
Michael Shirts
Fix for expanded ensemble.
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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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2015-08-14
Justin Lemkul
Avoid segmentation fault in gmx chi.
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2015-08-13
Mark Abraham
Make it easier to find selection help
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2015-08-13
Mark Abraham
Make it easier to find selection help
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2015-08-13
Mark Abraham
Re-enable multi-GPU support in OpenCL for thread MPI
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2015-08-13
Mark Abraham
Documentation fixes
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2015-08-13
Szilard Pall
add clFlush to kick of OpenCL work
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2015-08-13
Mark Abraham
Avoid FP exception with empty .mdp file
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2015-08-12
Mark Abraham
Add documentation for energygrps with GPUs
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2015-08-12
Mark Abraham
Add to author lists
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2015-08-12
Erik Lindahl
Prevent AMD OpenCL on OS X prior to 10.10.4
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2015-08-11
Erik Lindahl
Fix for processors being offline on Arm
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2015-08-11
Mark Abraham
Abort if PME tuning is active and counters reset
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2015-08-10
James W. Barnett
Fix some stuff in user and install guide
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2015-08-10
Mark Abraham
Require tune_pme to take -mdrun parameter
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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
James W. Barnett
Fix some phrases that were not appearing in manual
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2015-08-08
Mark Abraham
Fix docs of ftypes of dihedrals
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2015-08-06
Mark Abraham
Fix FindNVML.cmake
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2015-08-06
Erik Lindahl
Avoid using C++11-specific data() of std::vector
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2015-08-06
Mark Abraham
Fix thread-affinity checking
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2015-08-05
Mark Abraham
Fix em dash in new reference
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2015-08-05
Erik Lindahl
Fix PGI compiler flag
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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 use of wrongly-named GCC minor-version variable
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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
Stop mdrun printing potentially undefined value
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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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2015-07-20
Teemu Murtola
Merge release-5-0 into release-5-1
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2015-07-19
Mark Abraham
Update advice about grompp -t
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2015-07-17
Carlo Camilloni
Fixed gmx sasa output residue numbering
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2015-07-17
Erik Lindahl
Fix incorrect warning about only using single core
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2015-07-15
Carsten Kutzner
Removed information about obsolete .edo file format
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2015-07-15
James W. Barnett
Implement zsh shell completions.
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2015-07-14
James W. Barnett
Update example old mdp file in user guide.
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