GENESIS 1.1.5 Released

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  • #6109

    genesis
    Keymaster

    (Jul 10, 2017)

    GENESIS 1.1.5 is released!

    This version contains new features and some fixes as follows.

    New features:

    • (atdyn/spdyn) Fitting method (used in targeted MD, steered MD, string method etc.) renewal; [FITTING] section is introduced to extend the capability of structure fitting.
    • (spdyn) improve GPU detection mechanism (automatically ignore GPUs with CC < 3.5)

    Fixes:

    • (atdyn/spdyn) Fix of R-path (string method)
    • (atdyn/spdyn) fix random generator used in BUSSI thermostat/barostat
    • (spdyn) fix for communication tag
    • (spdyn/tests) update of BUSSI NVT (regression test is also updated)
    • (atdyn/spdyn) fix of gromacs input for SMOG2
    • (atdyn/spdyn) fix of restart file reader (K-computer and FX100 only; there could be large delay when reading input files (not always))
    • (tests) test.py script now accepts relative path for the atdyn/spdyn executables

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