HaRPAHam Class Reference

Class to define CIS or RPA Hamiltonian. More...

#include <harpaham.h>

List of all members.

Public Member Functions
bool	SetOpMode (int imode)
	Set Mode of Hamiltonian action.
bool	SetEnergy (const double NewEne)
	Set Energy if Calc (E-H).
bool	LoadGauCom (const HaQCMod &qc_mod) const
bool	Apply (vector< HaRPAvec > &RPAvec)
bool	Apply_init (vector< HaRPAvec > &RPAvec) const
vector< HaRPAvec >	operator * (const vector< HaRPAvec > &RPAvec)
	Apply Hamiltonian.
Protected Types
enum	OperMode { FULL = 0, MO_DIAG = 1, E_MIN_H = 2, E_MIN_H0 = 3 }
Protected Attributes
double	Ene
enum HaRPAHam::OperMode	opmode

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Detailed Description

Class to define CIS or RPA Hamiltonian.

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Member Function Documentation

bool HaRPAHam::LoadGauCom (  const HaQCMod &  qc_mod  )  const

Load Gaussian COMMONS needed to < Apply Gaussian FOFDIR subroutine

bool HaRPAHam::Apply (  vector< HaRPAvec > &  RPAvec  )

Apply RPA Hamiltonian to the array < of RPA vectors defined as

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The documentation for this class was generated from the following files:

• harpaham.h
• harpaham.cpp

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