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Section GENERIC

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MIXED%GENERIC.

User driven coupling between two or more force_eval. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

MIXING_FUNCTION
MIXING_FUNCTION (E1+E2-LOG(E1/E2))
Specifies the mixing functional form in mathematical notation.
This required keyword expects a string
VARIABLES
VARIABLES x
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 required keyword expects a list of words
PARAMETERS
PARAMETERS a b D
Defines the parameters of the functional form
This required keyword expects a list of words, and may repeat
VALUES
VALUES
Defines the values of parameter of the functional form
This required keyword expects a list of reals, and may repeat. Default unit: [internal_cp2k].
DX
DX
Parameter used for computing the derivative with the Ridders method.
This optional keyword expects a real. Default unit: [bohr], default value: 1.0000000000000001E-01 bohr
ERROR_LIMIT
ERROR_LIMIT
Checks that the error in computing the derivative is not larger than the value set. In case prints a warning message.
This optional keyword expects a real. Default value: 9.9999999999999998E-13


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