//////////////////////////////////////////////////////////////////////////////// // // 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