Section MODEL

• Section for a single NNP model. If this section is repeated, a committee model (C-NNP)is used where the NNP members share the same symmetry functions.

• Section path: CP2K_INPUT / FORCE_EVAL / NNP / MODEL

• This section can be repeated.

• Subsections

  • none

• Keywords

  • WEIGHTS

• Keyword descriptions

  WEIGHTS
  	WEIGHTS {String}
  	File containing the weights for the artificial neural networks of the NNP. The specified name is extended by .XXX.data
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: weights