boys_fwd.h

/*
 *  Copyright (C) 2004-2021 Edward F. Valeev
 *
 *  This file is part of Libint.
 *
 *  Libint is free software: you can redistribute it and/or modify
 *  it under the terms of the GNU Lesser General Public License as published by
 *  the Free Software Foundation, either version 3 of the License, or
 *  (at your option) any later version.
 *
 *  Libint 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 Lesser General Public License for more details.
 *
 *  You should have received a copy of the GNU Lesser General Public License
 *  along with Libint.  If not, see <http://www.gnu.org/licenses/>.
 *
 */
 
#ifndef _libint2_src_lib_libint_boysfwd_h_
#define _libint2_src_lib_libint_boysfwd_h_
 
namespace libint2 {
 
  template<typename Real>
  struct FmEval_Reference;
 
  template<typename Real>
  struct FmEval_Reference2;
 
  template <typename Real>
  class FmEval_Chebyshev7;
 
  template<typename Real, int INTERPOLATION_ORDER>
  class FmEval_Taylor;
 
  template<typename Real>
  struct TennoGmEval;
 
  template<typename Real, int K>
    struct GaussianGmEval;
 
  namespace detail {
    template <typename CoreEval> struct CoreEvalScratch;
  }  // namespace detail
 
  template <typename GmEvalFunction>
  struct GenericGmEval;
 
  namespace os_core_ints {
  template <typename Real> struct delta_gm_eval;
  template <typename Real, int K> struct r12_xx_K_gm_eval;
  template <typename Real> struct erf_coulomb_gm_eval;
  template <typename Real> struct erfc_coulomb_gm_eval;
  }  // namespace os_core_ints
 
  /*
   *  Slater geminal fitting is available only if have LAPACK
   */
#if HAVE_LAPACK
  template <typename Real>
  void stg_ng_fit(unsigned int n,
                 Real zeta,
                 std::vector< std::pair<Real, Real> >& geminal,
                 Real xmin = 0.0,
                 Real xmax = 10.0,
                 unsigned int npts = 1001);
#endif
 
}  // namespace libint2
 
#endif // header guard