Next: 33.2.5 Defining inactive geometry Up: 33.2 Geometry optimization Previous: 33.2.3 Selecting the optimization

33.2.4 Defining active geometry parameters (ACTIVE)

ACTIVE,param;

Declares variable name param to be active in the optimization. By default, initially all variables on which the geometry depends are active; inclusion of an ACTIVE card makes all parameters inactive unless explicitly declared active (see also INACTIVE).



P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000