ColumnBundleTransform.h

/*-------------------------------------------------------------------
Copyright 2014 Ravishankar Sundararaman

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_COLUMNBUNDLETRANSFORM_H
#define JDFTX_ELECTRONIC_COLUMNBUNDLETRANSFORM_H

#include <electronic/Basis.h>
#include <electronic/matrix.h>

class ColumnBundleTransform
{
public:
        struct BasisWrapper
        {       BasisWrapper(const Basis& basis);
                const Basis& basis; 
                vector3<int> iGbox; 
                vector3<int> pitch; 
                std::vector<int> table; 
        };
        
        ColumnBundleTransform(const vector3<>& kC, const Basis& basisC, const vector3<>& kD, const BasisWrapper& basisDwrapper,
                int nSpinor, const matrix3<int>& sym, int invert, const matrix3<int>& super = matrix3<int>(1,1,1));
        ~ColumnBundleTransform();
        
        //Non-copyable:
        ColumnBundleTransform(const ColumnBundleTransform&)=delete;
        ColumnBundleTransform& operator=(const ColumnBundleTransform&)=delete;
        
        void scatterAxpy(complex alpha, const ColumnBundle& C_C, int bC, ColumnBundle& C_D, int bD) const; 
        void gatherAxpy(complex alpha, const ColumnBundle& C_D, int bD, ColumnBundle& C_C, int bC) const; 
        
        void scatterAxpy(complex alpha, const ColumnBundle& C_C, ColumnBundle& C_D, int bDstart, int bDstep) const; 
        void gatherAxpy(complex alpha, const ColumnBundle& C_D, int bDstart, int bDstep, ColumnBundle& C_C) const; 

private:
        const Basis& basisC;
        const Basis& basisD;
        int nSpinor, invert;
        
        //Index array:
        std::vector<int> index; int* indexPref;
        #ifdef GPU_ENABLED
        int* indexGpu;
        #endif

        matrix spinorRot; //spinor space rotation
};

#endif //JDFTX_ELECTRONIC_COLUMNBUNDLETRANSFORM_H