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By default, the program generates a complete configuration set (CAS) in the active space.
The full space may be restricted to a certain occupation pattern using the RESTRICT
option. Alternatively, configurations may be selected from the wavefunction of a previous
calculation using SELECT, or explicitly specified on CON cards. Note that this
program only allows to select or specify orbital configurations. For each orbital
configuration, all spin couplings are always included. Possible RESTRICT, SELECT and
CON cards must immediately follow the WF card which defines the corresponding
state symmetry.
Subsections
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002