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Fix intermolecular interactions with small mols
2015-11-02 Berk HessFix intermolecular interactions with small mols
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2015-11-02 Szilard PallFix signal type
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2015-10-24 Szilard PallAvoid using incompatible NVML version
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2015-10-22 Szilard PallQuiet FindNVML
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2015-10-22 Teemu MurtolaUse include_directories(SYSTEM ...) consistently
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2015-10-22 Erik LindahlMerge "Merge release-5-0 into release-5-1" into release-5-1
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2015-10-19 Mark AbrahamFix cycle subcounters
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2015-10-18 Justin LemkulRemoved dihedrals from GLY .rtp entry.
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2015-10-15 Szilárd PállCorrect CUDA version comparisons
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2015-10-12 Michael ShirtsFix for lack of COM removal for md-vv
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2015-10-03 Mark AbrahamFix FindFFTW behaviour
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2015-10-03 Mark AbrahamFix mdrun -nb auto -rerun with GPU and energy groups
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2015-10-02 Teemu MurtolaFix -seltype option for C++ tools
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2015-10-02 Carsten KutznerFixed a bug in computational electrophysiology with DD
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2015-09-06 Mark AbrahamAdd GROMACS 5 paper to paper lists
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2015-08-13 Mark AbrahamMake it easier to find selection help
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2015-08-13 Mark AbrahamDocumentation fixes
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2015-08-13 Szilard Palladd clFlush to kick of OpenCL work
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2015-08-13 Mark AbrahamAvoid FP exception with empty .mdp file
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2015-08-12 Mark AbrahamAdd to author lists
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2015-08-12 Erik LindahlPrevent AMD OpenCL on OS X prior to 10.10.4
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2015-08-11 Erik LindahlFix for processors being offline on Arm
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2015-08-10 James W. BarnettFix some stuff in user and install guide
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2015-08-10 Mark AbrahamRequire tune_pme to take -mdrun parameter
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2015-08-08 James W. BarnettFix some phrases that were not appearing in manual
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2015-08-06 Mark AbrahamFix FindNVML.cmake
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2015-08-06 Erik LindahlAvoid using C++11-specific data() of std::vector
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2015-08-06 Mark AbrahamFix thread-affinity checking
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2015-08-05 Mark AbrahamFix em dash in new reference
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2015-08-03 Mark AbrahamFix use of wrongly-named GCC minor-version variable
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2015-07-26 Mark AbrahamStop mdrun printing potentially undefined value
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2015-07-19 Mark AbrahamUpdate advice about grompp -t
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2015-07-17 Erik LindahlFix incorrect warning about only using single core
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2015-07-15 Carsten KutznerRemoved information about obsolete .edo file format
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2015-07-14 James W. BarnettUpdate example old mdp file in user guide.
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2015-07-08 Mark AbrahamGive bTypePerturbed a valid initial value
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2015-07-08 Mark AbrahamFix grompp .edr IO estimate for free-energy calcs
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2015-07-05 Berk HessFix bug in GPU list balancing
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2015-07-04 Berk HessObey OpenMP thread count limit with tMPI
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2015-07-04 Berk HessFix two PME DLB trigger issues
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2015-07-03 Mark AbrahamFix ThreadMPI GPU assumptions
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2015-07-03 Berk HessCorrect grompp pull warning message
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2015-07-02 Szilard PallFix OpenCL compilation errors.
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2015-07-02 Teemu MurtolaRemove status messages about Sphinx detection
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2015-06-30 Mark AbrahamDocument how to add and use NVML support
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2015-06-30 Mark AbrahamAvoid GPU data race also with OpenCL
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2015-06-30 Berk Hessenabled 1 PP + 1 PME node
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2015-06-30 Berk HessAdd checks for inefficient resource usage
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2015-06-30 Mark AbrahamAdd support for flushing WDDM queue
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2015-06-29 Mark AbrahamMerge "Merge branch release-5-0"
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2015-06-29 Erik LindahlFix OS X openCL builds
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2015-06-29 Erik LindahlFix bugs in gmx dos
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2015-06-29 Erik LindahlReplace functions deprecated in OpenCL 1.2
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2015-06-29 Teemu MurtolaOnly accept exact matches for selection keywords
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2015-06-29 ancaImplement OpenCL support
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2015-06-29 Mark AbrahamAdd MSAN build type
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2015-06-29 Erik LindahlFix bug removing multiple dihedrals in main rtp entries
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2015-06-29 Teemu MurtolaMake some unit tests skip file system access
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2015-06-29 Erik LindahlRemoved gmx protonate tool
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2015-06-29 Berk HessImprove DLB+PME tuning with GPUs
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2015-06-28 Erik LindahlFix double precision reference SIMD and gcc bug
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2015-06-28 Erik LindahlFix one error and compiler warnings with Cuda & clang-3.6
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2015-06-28 Peter KassonAppend _pullx_ and _pullf to pull files when -deffnm...
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2015-06-28 Roland SchulzRemove unused cmake files
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2015-06-28 Roland SchulzDon't use check_library for libm
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2015-06-27 Berk HessImproved the intra-GPU load balancing
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2015-06-27 Szilard PallFix CUDA architecture dependent issues
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2015-06-27 Erik LindahlFix IBM VSX SIMD compiles with xlc
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2015-06-27 Berk HessReduce the use of nbnxn_consts.h
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2015-06-27 Berk HessCorrected nstcalclr/nstfep/nst_repl_ex checks
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2015-06-27 Erik LindahlMerge "Merge release-5-0 into master"
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2015-06-27 Teemu MurtolaDocument tool changes in 5.1
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2015-06-26 Erik LindahlFix compile issues on K computer
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2015-06-26 Berk HessFixed Verlet buffer issue with 2-wide SIMD
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2015-06-26 Erik LindahlFix buffer size issues in string database
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2015-06-26 Mark AbrahamFix mdrun -confout sometimes affecting final .edr frame
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2015-06-25 Berk HessIntermolecular bonded interaction support added
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2015-06-25 Szilard PallAdd missing macro undef in CUDA NB kernel
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2015-06-25 Roland SchulzFix Wundef warnings
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2015-06-25 Teemu MurtolaMove documentation on tool changes from wiki
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2015-06-25 Mark AbrahamMerge "Merge release-5-0 into master"
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2015-06-25 Berk HessReenabled SIMD kernels without cut-offs
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2015-06-24 Erik LindahlAvoid accessing hackblocks for x2top
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2015-06-24 Magnus LundborgUpdate header when appending to TNG file.
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2015-06-24 Berk HessGPU Ewald table kernel now uses CPU spacing
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2015-06-24 Berk HessAvoid GPU selection with GPU emulation
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2015-06-24 Berk HessMinor reformatting of SIMD mismatch message
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2015-06-24 Berk HessAdd sugar to print empty line in printBinaryInformation
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2015-06-23 Erik LindahlUpdated physical constants from NIST 2010 CODATA
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2015-06-23 Erik LindahlRemoved buggy -smooth hack in hbond module
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2015-06-22 Berk HessUpdate launch configuration for physical nodes
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2015-06-22 Roland SchulzFix GMX_ALIGNMENT for MSVC 2012 and 2013
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2015-06-22 Berk HessAvoid fp exceptions in pair search debug
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2015-06-22 Erik LindahlFix compiler warnings in cmake tests
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2015-06-22 Erik LindahlUse MPI_THREAD_FUNNELED when available
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2015-06-22 Roland SchulzFix cmake 3.1 warnings with MSVC
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2015-06-22 Erik LindahlFix segfault in random access XTC searching
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2015-06-22 Erik LindahlFix argument order error for g_rmsdist
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2015-06-22 Erik LindahlFix gro errors with PDB insertion codes
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2015-06-22 Berk HessReplaced hardware threads by logical cores in output
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The ultimate molecular dynamics simulation package