MPQC  3.0.0-alpha
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 RefSCVectorgradient () const
 
const RefSymmSCMatrixhessian () const
 

Detailed Description

energy + gradient + hessian


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

Generated at Sun Jan 26 2020 23:24:05 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.