Basis.h

/*-------------------------------------------------------------------
Copyright 2011 Ravishankar Sundararaman
Copyright 1996-2003 Sohrab Ismail-Beigi

This file is part of JDFTx.

JDFTx is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

JDFTx is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with JDFTx.  If not, see <http://www.gnu.org/licenses/>.
-------------------------------------------------------------------*/

#ifndef JDFTX_ELECTRONIC_BASIS_H
#define JDFTX_ELECTRONIC_BASIS_H

#include <electronic/common.h>
#include <core/vector3.h>
#include <core/GridInfo.h>
#include <vector>

class Basis
{
public:
        const GridInfo* gInfo; 
        const IonInfo* iInfo; 
        
        size_t nbasis; 
        vector3<int> *iGarr; 
        int *index; 
        #ifdef GPU_ENABLED
        vector3<int> *iGarrGpu; 
        int *indexGpu; 
        #endif
        int* indexPref; 
        vector3<int> *iGarrPref; 
        
        std::vector<int> head; 
        
        Basis();
        ~Basis();

        Basis(const Basis&); 
        Basis& operator=(const Basis&); 

        void setup(const GridInfo& gInfo, const IonInfo& iInfo, double Ecut, const vector3<> k);

        void setup(const GridInfo& gInfo, const IonInfo& iInfo, const std::vector<int>& indexVec);
        
private:
        bool ownsData; //whether the pointers were allocated by this object and need to be freed
        void setup(const GridInfo& gInfo, const IonInfo& iInfo,
                const std::vector<int>& indexVec,
                const std::vector< vector3<int> >& iGvec); //set the data arrays from vectors
};

#endif // JDFTX_ELECTRONIC_BASIS_H