Section TRAINING_FILES

• specicifies the location in which the files necessary for fitting procedure are located. Each Training set needs a repetition of this section.

• Section path: CP2K_INPUT / OPTIMIZE_BASIS / TRAINING_FILES

• This section can be repeated.

• Subsections

  • none

• Keywords

  • DIRECTORY
  • INPUT_FILE_NAME

• Keyword descriptions

  DIRECTORY
  	DIRECTORY {String}
  	the directory in which the files are placed
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: .

  INPUT_FILE_NAME
  	INPUT_FILE_NAME {String}
  	the filename of the input file used to run the original calculation
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: input.inp