alexxy/gromacs.git
2016-01-12 Mark AbrahamMerge branch release-5-0 into release-5-1
2016-01-08 Berk HessFix PME load balancing skipping a setup
2016-01-07 Mark AbrahamAvoid more C++ bindings for MPI
2016-01-07 Mark AbrahamDocument how potential-switch works
2016-01-07 Mark AbrahamStop using UNDEFINED as name of a symbol
2016-01-07 Mark AbrahamBackport md-vv fixes
2015-12-29 Berk HessCorrect vector check of gmx check
2015-12-27 Mark AbrahamFix some OpenCL issues
2015-12-26 Szilard PallImprove documentation on OpenCL issue with NVIDIA
2015-12-19 Berk HessBring performance estimation up to date
2015-12-12 Mark AbrahamRequire Nose-Hoover with MTTK
2015-12-12 Christoph JunghansAdResS: lost performance tweak
2015-12-11 Berk HessFix bug with pull group weights
2015-12-11 Mark AbrahamStop global communication depending on integrator
2015-12-08 Mark AbrahamMerge branch 'release-5-0' into release-5-1
2015-12-08 Mark AbrahamFix Trotter integration
2015-11-25 Elton CarvalhoRotate Figure 8.2 in manual.
2015-11-24 Mark AbrahamFix error in multi-sim communication
2015-11-19 Berk HessRemoved mdrun fatal_error with P3M-AD
2015-11-17 Carsten KutznerFixed -npstring command line argument in gmx tune_pme
2015-11-14 Mark AbrahamFix walltime measurement with bgclang
2015-11-11 Mark AbrahamMerge release-5-0 into release-5-1
2015-11-10 Mark AbrahamBump patch version to prepare for 5.1.2
2015-11-09 Berk HessCorrect LINCS dHdl contribution
2015-11-04 Mark AbrahamVersion 5.1.1
2015-11-04 Szilard PallTweak NVML-related messages
2015-11-02 Berk HessFix intermolecular interactions with small mols
2015-11-02 Szilard PallFix signal type
2015-10-28 Mark AbrahamSuppress warnings when we have OpenCL 2.0 support
2015-10-24 Szilard PallAvoid using incompatible NVML version
2015-10-22 Szilard PallQuiet FindNVML
2015-10-22 Teemu MurtolaUse include_directories(SYSTEM ...) consistently
2015-10-22 Erik LindahlMerge "Merge release-5-0 into release-5-1" into release-5-1
2015-10-19 Mark AbrahamFix cycle subcounters
2015-10-18 Justin LemkulRemoved dihedrals from GLY .rtp entry.
2015-10-15 Szilárd PállAdd CUDA nvcc >=7.0 support
2015-10-15 Szilárd PállCorrect CUDA version comparisons
2015-10-15 Berk HessFixed nbnxn_4xN performance regression
2015-10-15 Szilard PallFix reset error message
2015-10-14 Mark AbrahamMerge release-5-0 into release-5-1
2015-10-14 Mark AbrahamVersion bumps after release
2015-10-14 Mark AbrahamVersion 5.0.7
2015-10-14 Teemu MurtolaMake bash completions work with bash --posix
2015-10-13 Mark AbrahamMerge branch release-4-6 into release-5-0
2015-10-12 Michael ShirtsFix for lack of COM removal for md-vv
2015-10-07 Berk HessFix bugs with intermol interactions and DD
2015-10-07 Mark AbrahamFixed FFTW detection status message location
2015-10-05 Mark AbrahamMerge release-5-0 into release-5-1
2015-10-03 Mark AbrahamFix FindFFTW behaviour
2015-10-03 Mark AbrahamFix mdrun -nb auto -rerun with GPU and energy groups
2015-10-02 Teemu MurtolaFix -seltype option for C++ tools
2015-10-02 Carsten KutznerFixed a bug in computational electrophysiology with DD
2015-09-29 David van der... Fixes bug in the computation of Coefficient of Thermal...
2015-09-26 Mark AbrahamFix reaction-field warning message
2015-09-17 Szilard PallFix broken OpenCL detection
2015-09-16 Szilard PallFix OpenCL build
2015-09-15 Berk HessDetect incorrect cycle counting
2015-09-06 Mark AbrahamAdd GROMACS 5 paper to paper lists
2015-09-02 Béla VoßAvoid integer overflow in gmx_wham by using gmx_int64_t.
2015-08-19 Mark AbrahamHarden FindSphinx.cmake
2015-08-18 Michael ShirtsFix for expanded ensemble.
2015-08-14 Mark AbrahamBump patch version to prepare for 5.1.1
2015-08-14 Mark AbrahamVersion 5.1
2015-08-14 Berk HessMake mdrun -nt work again
2015-08-14 Justin LemkulAvoid segmentation fault in gmx chi.
2015-08-13 Mark AbrahamMake it easier to find selection help
2015-08-13 Mark AbrahamMake it easier to find selection help
2015-08-13 Mark AbrahamRe-enable multi-GPU support in OpenCL for thread MPI
2015-08-13 Mark AbrahamDocumentation fixes
2015-08-13 Szilard Palladd clFlush to kick of OpenCL work
2015-08-13 Mark AbrahamAvoid FP exception with empty .mdp file
2015-08-12 Mark AbrahamAdd documentation for energygrps with GPUs
2015-08-12 Mark AbrahamAdd to author lists
2015-08-12 Erik LindahlPrevent AMD OpenCL on OS X prior to 10.10.4
2015-08-11 Erik LindahlFix for processors being offline on Arm
2015-08-11 Mark AbrahamAbort if PME tuning is active and counters reset
2015-08-10 James W. BarnettFix some stuff in user and install guide
2015-08-10 Mark AbrahamRequire tune_pme to take -mdrun parameter
2015-08-08 Mark AbrahamMerge branch release-5-0 into release-5-1
2015-08-08 James W. BarnettFix some phrases that were not appearing in manual
2015-08-08 Mark AbrahamFix docs of ftypes of dihedrals
2015-08-06 Mark AbrahamFix FindNVML.cmake
2015-08-06 Erik LindahlAvoid using C++11-specific data() of std::vector
2015-08-06 Mark AbrahamFix thread-affinity checking
2015-08-05 Mark AbrahamFix em dash in new reference
2015-08-05 Erik LindahlFix PGI compiler flag
2015-08-04 Mark AbrahamMerge release-5-0 into release-5-1
2015-08-03 Mark AbrahamFix use of wrongly-named GCC minor-version variable
2015-08-03 Mark AbrahamFix possible linking of libxml2 to zlib
2015-07-26 Mark AbrahamMerge branch release-5-0 into release-5-1
2015-07-26 Mark AbrahamStop mdrun printing potentially undefined value
2015-07-26 Mark AbrahamVersion bumps after new release
2015-07-24 Mark AbrahamVersion 5.0.6
2015-07-20 Teemu MurtolaMerge release-5-0 into release-5-1
2015-07-19 Mark AbrahamUpdate advice about grompp -t
2015-07-17 Carlo CamilloniFixed gmx sasa output residue numbering
2015-07-17 Erik LindahlFix incorrect warning about only using single core
2015-07-15 Carsten KutznerRemoved information about obsolete .edo file format
2015-07-15 James W. BarnettImplement zsh shell completions.
2015-07-14 James W. BarnettUpdate example old mdp file in user guide.
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