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46.2.8 Hessian elements (HESSELEM)

HESSELEM,value, active1,active2,...

sets the starting value for hessian matrix element between active variables active1, active2 to value. If active2 is omitted it defaults to active1 (diagonal element). As many HESSELEM directives as needed may be given.



molpro@molpro.net 2017-12-11