ML_TYPE

ML_TYPE = kernel | vasp | grace
Default: ML_TYPE = kernel 

Description: String-based tag selecting type of machine-learned force field to use.

Mind: Available as of VASP 6.6.0

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Given that machine-learned force fields are enabled (ML_LMLFF = .TRUE.) this tag selects which type of force field is used.

• ML_TYPE = kernel, vasp:

  Use VASP's native machine-learned force fields with theoretical background described here. The strings kernel and vasp are synonymous in this context.

• ML_TYPE = grace:

  Use GRACE force fields, available only for ML_MODE = run if GRACE support is enabled at compile time.

Related tags and articles

ML_LMLFF, ML_MODE, ML_GRACE_MODEL

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