Section GENERIC

• User driven coupling between two or more force_eval.

• Section path: CP2K_INPUT / FORCE_EVAL / MIXED / GENERIC

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • DX
  • ERROR_LIMIT
  • MIXING_FUNCTION
  • PARAMETERS
  • UNITS
  • VALUES
  • VARIABLES

• Keyword descriptions

  DX
  	DX {Real}
  	Parameter used for computing the derivative with the Ridders method.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-01
  	Default unit: [bohr]

  ERROR_LIMIT
  	ERROR_LIMIT {Real}
  	Checks that the error in computing the derivative is not larger than the value set. In case prints a warning message.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-12

  MIXING_FUNCTION
  	MIXING_FUNCTION {String}
  	Specifies the mixing functional form in mathematical notation.
  	This keyword cannot be repeated and it expects precisely one string.

  PARAMETERS
  	PARAMETERS {Word} ...
  	Defines the parameters of the functional form
  	This keyword can be repeated and it expects a list of words.

  UNITS
  	UNITS {Word} ...
  	Optionally, allows to define valid CP2K unit strings for each parameter value. It is assumed that the corresponding parameter value is specified in this unit.
  	This keyword can be repeated and it expects a list of words.

  VALUES
  	VALUES {Real} ...
  	Defines the values of parameter of the functional form
  	This keyword can be repeated and it expects a list of reals.
  	Default unit: [internal_cp2k]

  VARIABLES
  	VARIABLES {Word} ...
  	Defines the variables of the functional form. To allow an efficient mapping the order of the energy variables will be considered identical to the order of the force_eval in the force_eval_order list.
  	This keyword cannot be repeated and it expects a list of words.