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TNG version 1.7.5
2015-05-16 Magnus LundborgTNG version 1.7.5
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2015-05-16 Alexey ShvetsovMake bond-atomtypes case sensitive
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2015-05-13 Teemu MurtolaRemove remaining old-html content
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2015-05-10 Mark AbrahamMerge "Merge branch release-5-0"
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2015-05-10 Teemu MurtolaPrint correct order for include order/style issues
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2015-05-10 Teemu MurtolaImprove build system for Sphinx
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2015-05-10 Teemu MurtolaConvert developer manual to rst
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2015-05-06 Mark AbrahamFixed recently-introduced couple-lambda warning message
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2015-05-06 Szilárd PállMerge "Merge release-4-6 into release-5-0" into release-5-0
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2015-05-06 Mark AbrahamFix SIMD unit tests on BG/Q
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2015-05-05 Teemu MurtolaAvoid rounding errors affecting results in one test
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2015-04-30 Olivier FisetteFix error handling in gmx_tmpnam
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2015-04-30 Michael ShirtsFix for rarely occuring replica exchange error.
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2015-04-28 Mark AbrahamAdd application-clock NVML-based support for Quadro...
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2015-04-27 Mark AbrahamClean up remnants in mdrun
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2015-04-21 Szilárd PállAllow manually setting target GPU architectures
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2015-04-21 Magnus LundborgTNG version 1.7.3
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2015-04-21 Mark AbrahamMerge "Merge branch release-5-0"
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2015-04-17 Berk HessAdd value_ref and value to pull_coord_t
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2015-04-17 Szilárd Pálldefine CUDA version and texobj support in config.h
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2015-04-17 Mark AbrahamAdd comment about Andersen themostat and constraints
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2015-04-17 David van der SpoelUpdated exponential fitting to make it robust.
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2015-04-08 Berk HessAdded pull geometry direction-relative
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2015-04-01 Mark AbrahamInitialize n_tricvec field of t_pbc always
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2015-04-01 Berk HessCorrected force-switch manual section
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2015-03-30 Mark AbrahamImproved man-page machinery
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2015-03-25 Erik LindahlQuote from Jen-Hsun at the NVIDIA GTC conference 2015
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2015-03-19 Berk HessRemoved reduction of dH/dl without FE
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2015-03-13 Mark AbrahamMade GPU warning messages more user friendly
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2015-03-12 Berk HessFixed mdrun fp exception with -debug
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2015-03-11 Berk HessAdded update x copy-back to update timer
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2015-03-06 Berk HessImprove threading of bondeds
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2015-03-06 Mark AbrahamRestore wallcycle subcounter name to "Bonded F"
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2015-03-05 Mark AbrahamFix Andersen thermostats
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2015-03-05 Berk HessSIMD acceleration for LINCS
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2015-03-04 Berk HessCOM pulling options per coord, improved cylinder
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2015-03-04 Roland SchulzFix GCC5 warnings
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2015-03-03 Mark AbrahamRe-implement gmx tune_pme -cpi
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2015-03-03 Erik LindahlAdded single-accuracy SIMD double math functions
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2015-03-03 Berk HessFix div by zero in PP/PME ratio
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2015-03-03 Mark AbrahamAdd test that plain multi-simulation works
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2015-03-02 David van der SpoelUpdated documentation for electric fields.
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2015-03-02 Berk HessAdded parentheses for casts in SIMD macros
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2015-03-02 Roland SchulzDon't search installation prefix if binary is not found
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2015-03-02 Mark AbrahamAdd infrastructure for running MPI integration tests
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2015-02-25 Roland SchulzC++ conversion for PME spread/gather
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2015-02-25 Mark AbrahamAdd content to user guide
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2015-02-25 Mark AbrahamSplit pme.c into multiple files
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2015-02-25 Mark AbrahamAdd mdp-options to user guide
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2015-02-24 Berk HessFixed parallel distribution and thread count reporting
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2015-02-24 Erik LindahlAdd AVX-512F SIMD support
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2015-02-18 Mark AbrahamReenable SIMD for R-B dihedrals
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2015-02-14 Erik Marklundgmx hbond no longer removes PBC when none is present
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2015-02-13 Mark AbrahamImplemented documentation with sphinx
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2015-02-12 Vedran MiletićFix removal of symlinks created during installation
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2015-02-10 Roland SchulzDon't set CFLAGS for Phi in toolchain
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2015-02-07 Roland SchulzMake FindBoost quite
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2015-02-07 Teemu MurtolaSupport more complex fixed position selections
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2015-02-06 Berk HessRe-enabled SIMD for angles and dihedrals
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2015-02-04 Berk HessCorrect CUDA kernel energy flag
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2015-02-02 Roland SchulzFix FP exception in FE
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2015-02-02 Mark AbrahamFix use of simd.h
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2015-01-29 Teemu MurtolaAdd input file options that accept missing files
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2015-01-29 John BaxterRemoves some unnecessary ternary conditionals
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2015-01-24 Teemu MurtolaImprove selection error messages (use exceptions)
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2015-01-23 Mark AbrahamChange some listed-forces headers to be library-only
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2015-01-23 Teemu MurtolaIgnore test-only dependency cycles
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2015-01-20 Teemu MurtolaMake data file path search more reusable
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2015-01-20 Teemu MurtolaConvert forcefield search to C++
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2015-01-19 Erik LindahlAdded two quotes from Julie Bernauer habilitation
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2015-01-19 James BarnettAdd tip4pew parameters to oplsaa.ff
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2015-01-19 Teemu MurtolaRemove AnalysisNeighborhood::setUseBoundingBox()
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2015-01-17 Teemu MurtolaMerge "Merge branch release-5-0"
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2015-01-16 Mark AbrahamFix BlueGene/Q build with recent CMake
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2015-01-15 Berk HessFix allocation issue with VV integrator
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2015-01-14 Mark AbrahamFix and suppress warnings on BlueGene/Q
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2015-01-14 Mark AbrahamRefactor OpenMP initialization
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2015-01-14 Mark AbrahamRemove temporary symlinks from pre-5.0 tool names
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2015-01-09 Mark AbrahamRemove mdrun -testverlet
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2015-01-08 Teemu MurtolaRefactor logic for finding share/top/ files
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2015-01-08 Mark AbrahamFix floating-point exception
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2015-01-08 Teemu MurtolaClosed some .xvg files that were being left open
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2015-01-07 Teemu MurtolaSplit unit test init from testoptions.cpp
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2015-01-06 Teemu MurtolaUse analysis nbsearch for surface area calculation
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2015-01-05 Teemu MurtolaMinimal C++ replacement for rvec
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2015-01-05 Teemu MurtolaClarify GMX_MPI management
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2015-01-05 Roland SchulzEnable fp-exceptions
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2015-01-03 Teemu MurtolaMinor selection clarifications
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2015-01-03 Teemu MurtolaFix crash with 'z of ...' within an expression
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2014-12-28 Teemu MurtolaAdd helper for generic C++ command-line modules
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2014-12-22 Berk HessFixed pbc=xy + 2 walls + Verlet scheme
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2014-12-22 Berk HessFix bug FE + GPU + 2/3D domain decomposition
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2014-12-17 Teemu MurtolaMake 'gmx sasa' calculation thread-safe
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2014-12-17 Teemu MurtolaRemove some backwards-compatibility glue for Jenkins
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2014-12-17 Roland SchulzMerge "Merge branch 'release-5-0'"
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2014-12-17 Roland SchulzFix cppcheck-1.67 warnings
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2014-12-16 Teemu MurtolaMake 'gmx sasa' volume computation translation-invariant
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2014-12-16 Mark AbrahamMove code to prepare for GPU interface rework
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2014-12-15 Roland SchulzFix NVML detection on Windows
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2014-12-15 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0
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The ultimate molecular dynamics simulation package