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46.2.13 Redefining the trust ratio (TRUST)

TRUST,ratio,ahmax

ratio determines the radius around the current minimum in which points are used to update the Hessian with the conjugate gradient method (default 0.5; see also UPDATE).

ahmax is the maximum step size allowed in the Augmented Hessian procedure. This refers to the scaled parameter space (default 0.5). The initial step size is stepmx (see STEP card).



molpro@molpro.net 2017-12-13