DIPOLE

Section can be repeated.

This section specifies that we will perform an SCF dipole calculation of the MM atoms. Needs KEYWORD POL_SCF in POISSON secton [Edit on GitHub]

Subsections

• DAMPING

Keywords

• APOL

• ATOM

Keyword descriptions

APOL: real = [angstrom^3]

Usage: APOL {real}

Defines the isotropic polarizability of the MM atom. [Edit on GitHub]

ATOM: string

Usage: ATOM {KIND1}

Defines the atomic kind of the SCF dipole. [Edit on GitHub]