ML MODE: Difference between revisions
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This tag acts as a "supertag" and selects the operation mode by selecting the defaults for all other tags. Every tag that is affected by this "supertag" can be overwritten by the user by simply specifying the value for that tag. | This tag acts as a "supertag" and selects the operation mode by selecting the defaults for all other tags. Every tag that is affected by this "supertag" can be overwritten by the user by simply specifying the value for that tag. | ||
The following options are available for this tag: | The following options are available for this tag: | ||
*{{TAG|ML_MODE}}=TRAIN: | *{{TAG|ML_MODE}} = TRAIN: | ||
*{{TAG|ML_MODE}}=SELECT: | *{{TAG|ML_MODE}} = SELECT: | ||
*{{TAG|ML_MODE}}=REFIT: | *{{TAG|ML_MODE}} = REFIT: | ||
*{{TAG|ML_MODE}}=REFITFULL: | *{{TAG|ML_MODE}} = REFITFULL: | ||
*{{TAG|ML_MODE}}=RUN: | *{{TAG|ML_MODE}} = RUN: | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 08:22, 9 January 2023
ML_MODE = [string]
Default: ML_MODE = NONE
Description: String based tag selecting operation mode for machine learning force fields.
This tag is only available in the development version of VASP.
This tag acts as a "supertag" and selects the operation mode by selecting the defaults for all other tags. Every tag that is affected by this "supertag" can be overwritten by the user by simply specifying the value for that tag. The following options are available for this tag:
Related tags and articles
ML_LMLFF, ML_ISTART, ML_LFAST, ML_IERR, ML_OUTBLOCK, ML_OUTPUT_MODE