32.4 Summary of directives

The same standard directives as in the canonical programs, e.g., OCC, CLOSED, CORE, WF, ORBITAL are also valid in the local methods. In addition, there are some directives which only apply to local calculations:

LOCAL

Invokes local methods and allows to specify the same options as on the command line.

MULTP

As LOCAL, but multipole approximations are used for distant pairs.

DOMAIN

Define domains manually (not recommended).

MERGEDOM

Allows to merge domains

REGION

Allows to select regions of a molecule to be treated at a certain level of theory.

ENEPART

Analysis of pair energies.

SAVE

Save domains and LCCSD amplitudes.

START

Restart with domains and LCCSD amplitudes from a previous calculation.