ML_OUTPUT_MODE

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Revision as of 12:04, 21 November 2022 by Karsai (talk | contribs)

{{TAGDEF|ML_OUTPUT_MODE|[integer]|1}

Description: This tag decides the output verbosity of the molecular-dynamics calculation using machine learning.


The following options exist for this tag:

  • ML_OUTPUT_MODE=1: Everything as in usual ab-initio molecular dynamics calculations are written to the files (OUTCAR, vasprun.xml, etc.
  • ML_OUTPUT_MODE=0: Same as above, except the pair-correlation function is never calculated and written out.

Related tags and articles

ML_LMLFF, ML_ISTART, ML_LFAST, ML_IERR, ML_OUTBLOCK,