Program Listing for File calc.h

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// HORTON: Helpful Open-source Research TOol for N-fermion systems.
// Copyright (C) 2011-2017 The HORTON Development Team
//
// This file is part of HORTON.
//
// HORTON 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.
//
// HORTON 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 this program; if not, see <http://www.gnu.org/licenses/>
//
//--

#ifndef GBASIS_CALC_H_
#define GBASIS_CALC_H_

/*

    Base class for anything that computes stuff by iterating over Gaussian
    basis functions

*/


class GBCalculator {
 protected:
  long nwork, max_shell_type, max_nbasis;
  double *work_pure, *work_cart;
  void swap_work();

 public:
  GBCalculator(long max_shell_type, long dim_work, int basis_work);
  GBCalculator(const GBCalculator& other) = delete;

  virtual ~GBCalculator();

  const long get_nwork() const { return nwork; }

  const long get_max_shell_type() const { return max_shell_type; }

  const long get_max_nbasis() const { return max_nbasis; }

  const double *get_work() const { return work_cart; }
};

#endif  // GBASIS_CALC_H_