MOLDAT

MOLDAT
	Appendix E. Debugging

Name

MOLDAT — Print additional debug information in subroutine MOLDAT.

Synopsis

MOLDAT

Description

MOLDAT generates special debug output and is not for general use. Output information includes number of real atoms, total number of atoms, number of orbitals, number of d-orbitals, 1-electron diagonal terms, and atomic energies.

Abbreviation:

MOLD

Requires:

none

Default value:

none

See also:

C.I., DEBUG, MATCI, MECI, DAVDBG.

Copyright © 1992-2013 Semichem, Inc. All rights reserved.


LINMIN		REPARAM