Name

DIPZ — Specify the z- component of the dipole moment.

Synopsis

 DIPZ=n.n
			

Description

When DIPOLE is used to constrain the fitting of the ESP charges, the dipole moment predicted by AMPAC’s Coulson analysis is used as the default dipole moment for the fitting. DIPX=n.n, DIPY=n.n, and DIPZ=n.n keywords can be used to override the x, y, and z components of this default dipole moment. DIPX, DIPY, DIPZ can be used individually, since any component of the dipole moment that is not user specified will taken from the default dipole moment.

Abbreviation:

none

Requires:

ESP and DIPOLE.

Default value:

none

See also:

ESP, DIPOLE.