Next: 36.2.3 Defining inactive geometry Up: 36.2 Automatic geometry optimization Previous: 36.2.1 Optimization coordinates (COORD)

36.2.2 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).



molpro@molpro.net
Feb 26, 2003