GENESIS 1.1.5 released!

This version contains a new feature and some fixes as follows.

New feature:

  • (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)


  • (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) script now accepts relative path for the atdyn/spdyn executables
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