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Next: 46.2.5 Defining inactive geometry Up: 46.2 Directives for OPTG Previous: 46.2.3 Displacement coordinates (DISPLACE)   Contents   Index   PDF

46.2.4 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).



molpro@molpro.net 2017-12-16