sc::EGH Struct Reference

energy + gradient + hessian More...

#include <chemistry/molecule/findisp.h>

Public Member Functions
	EGH (double e, const RefSCVector &g, const RefSymmSCMatrix &h)
double	energy () const
const RefSCVector &	gradient () const
const RefSymmSCMatrix &	hessian () const

Detailed Description

energy + gradient + hessian

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The documentation for this struct was generated from the following file:

• src/lib/chemistry/molecule/findisp.h