////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or .
//
////////////////////////////////////////////////////////////////////////////////
//
// Preconditioner.h
//
////////////////////////////////////////////////////////////////////////////////
#ifndef PRECONDITIONER_H
#define PRECONDITIONER_H
class Wavefunction;
class EnergyFunctional;
#include
#include
class Preconditioner
{
private:
EnergyFunctional& ef_;
// kpg2_[ispin][ikp][ig]
std::vector > kpg2_;
// ekin_[ispin][ikp][n]
std::vector > > ekin_;
double ecutprec_;
public:
// update values of ekin_
void update(const Wavefunction& wf);
double diag(int ispin, int ikp, int n, int ig) const;
Preconditioner(const Wavefunction& wf, EnergyFunctional& ef, double ecutprec);
//~Preconditioner();
};
#endif