GENESIS 1.1.5 Released Author Posts Actions Jul 10th, 2017 at 3:28 pm #6109 genesisKeymaster (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 The forum ‘Announcement’ is closed to new topics and replies.