Name
LINDH — Use Lindh’s method for initial guess for Hessian matrix.
Description
LINDH forces the use of R. Lindh’s method for computing the initial guess of the Hessian matrix. This initial guess is
needed for quasi-Newton optimizers (such as
TRUSTE),
CHN methods, and
simulated annealing
(ANNEAL,
TSANNEAL,
MANNEAL, and
GANNEAL). If LINDH is not specified, a
2-body model is used by default to compute the initial Hessian matrix. Lindh’s method is
generally comparable to the 2-body model but may be slightly slower in some cases.
