ML OUTPUT MODE: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_LFAST}}, {{TAG|ML_IERR}}, {{TAG|ML_OUTBLOCK}} | {{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_LFAST}}, {{TAG|ML_IERR}}, {{TAG|ML_OUTBLOCK}} | ||
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[[Category:INCAR tag]][[Category:Machine-learned force fields]][[Category:Development version]] | [[Category:INCAR tag]][[Category:Machine-learned force fields]][[Category:Development version]] | ||
Revision as of 13:10, 2 December 2022
ML_OUTPUT_MODE = [integer]
Default: ML_OUTPUT_MODE = 1
Description: This tag decides the output verbosity of the molecular-dynamics calculation using machine learning.
This tag is only available in the development version of VASP.
The following options exist for this tag:
- ML_OUTPUT_MODE=1: Everything as in usual ab-initio molecular dynamics calculations is written to the files (OUTCAR, vasprun.xml, vaspout.h5, 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