onep_1_1.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 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 General Public License for more details.
 *
 *  You should have received a copy of the GNU General Public License
 *  along with Libint.  If not, see <http://www.gnu.org/licenses/>.
 *
 */
 
#ifndef _libint2_src_bin_libint_onep11_h_
#define _libint2_src_bin_libint_onep11_h_
 
#include <integral.h>
#include <integral_1_1.h>
 
namespace libint2 {
 
  template <>
  inline bool
  GenIntegralSet_1_1<CGF,ElecPotOper,mType>::this_precomputed() const
  {
    if (parent_type::bra_.member(0,0).zero() &&
        parent_type::ket_.member(0,0).zero() &&
        !parent_type::bra_.member(0,0).contracted() &&
        !parent_type::ket_.member(0,0).contracted() &&
        parent_type::bra_.member(0,0).deriv().zero() &&
        parent_type::ket_.member(0,0).deriv().zero()
       )
      return true;
    else
      return false;
  }
 
template <>
inline bool
GenIntegralSet_1_1<CGShell,ElecPotOper,mType>::auto_unroll() const
{
  if (parent_type::bra_.member(0,0).zero() &&
      parent_type::ket_.member(0,0).zero() &&
      !parent_type::bra_.member(0,0).contracted() &&
      !parent_type::ket_.member(0,0).contracted() &&
      parent_type::bra_.member(0,0).deriv().zero() &&
      parent_type::ket_.member(0,0).deriv().zero()
      )
    return true;
  else
    return false;
}
 
};
 
#endif