Program Listing for File angular.hpp

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/*
 *      Copyright (c) 2020 Robert Shaw
 *      This file is a part of Libecpint.
 *
 *      Permission is hereby granted, free of charge, to any person obtaining
 *      a copy of this software and associated documentation files (the
 *      "Software"), to deal in the Software without restriction, including
 *      without limitation the rights to use, copy, modify, merge, publish,
 *      distribute, sublicense, and/or sell copies of the Software, and to
 *      permit persons to whom the Software is furnished to do so, subject to
 *      the following conditions:
 *
 *      The above copyright notice and this permission notice shall be
 *      included in all copies or substantial portions of the Software.
 *
 *      THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
 *      EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
 *      MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
 *      NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE
 *      LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION
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 *      WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
 */

#ifndef ANGULAR_HEAD
#define ANGULAR_HEAD

#include <vector>
#include "multiarr.hpp"

namespace libecpint {

    class AngularIntegral
    {
    private:
        int LB;
        int LE;

        int wDim;
        int maxL;

        FiveIndex<double> W;
        SevenIndex<double> omega;

        double calcG(int l, int m) const;
        double calcH1(int i, int j, int l, int m) const;
        double calcH2(int i, int j, int k, int m) const;

        ThreeIndex<double> Pijk(int maxI) const;

        void makeW(const FiveIndex<double> &U);
        void makeOmega(const FiveIndex<double> &U);

    public:

        ThreeIndex<double> uklm(int lam, int mu) const;

        FiveIndex<double> makeU() const;

        AngularIntegral();

        AngularIntegral(int LB, int LE);

        void init(int LB, int LE);

        void compute();

        void clear();

        double getIntegral(int k, int l, int m, int lam, int mu) const;

        double getIntegral(int k, int l, int m, int lam, int mu, int rho, int sigma) const;

        int* getOmegaMults() { return omega.mults; }
    const int* getOmegaMults() const { return omega.mults; }
        int* getOmegaDims() { return omega.dims; }
    const int* getOmegaDims() const { return omega.dims; }
        std::vector<double>& getOmegaData() { return omega.data; }
    const std::vector<double>& getOmegaData() const { return omega.data; }


        bool isZero(int k, int l, int m, int lam, int mu, double tolerance) const;

        bool isZero(int k, int l, int m, int lam, int mu, int rho, int sigma, double tolerance) const;
    };

}
#endif