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PSPACE,select,npspac;
- select:
- energy criterion for selecting p-space configurations.
If negative, a test for p-space H is performed.
- npspac:
- minimum number of p-space configurations.
Further configurations are added if either required by select or if
configurations are found which are degenerate to the last p-space
configuration. A minimum number of npspace is automatically determined
from the state specifications.
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000