The CP2K project : input section CHARGE

Section CHARGE

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MM%FORCEFIELD%CHARGE.

This section specifies the charge of the MM atoms. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

ATOM
ATOM {KIND1}
Defines the atomic kind of the charge.
This required keyword expects a word
CHARGE
CHARGE {real}
Defines the charge of the MM atom in electron charge unit.
This required keyword expects a real


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