PLUGINS/ML MODE

From VASP Wiki

PLUGINS/ML_MODE = none | run
Default: PLUGINS/ML_MODE = none 

Description: String-based tag selecting operation mode for running PLUGINS/FORCE_AND_STRESS plugins.


  • PLUGINS/ML_MODE = none Forces and stress provided by the plugin are added to the ab-initio forces computed by VASP.
  • PLUGINS/ML_MODE = run VASP skips the ab-initio calculation and uses the forces and stress of the plugin to replace the forces of VASP.

Related tags and articles

Plugins, PLUGINS/FORCE_AND_STRESS, PLUGINS/ML_OUTBLOCK, PLUGINS/ML_OUTPUT_MODE, PLUGINS/NEIGHBOR_CUTOFF

Examples that use this tag