comp_11_gtg_11_1d.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_cr11gtg111d_h_
#define _libint2_src_bin_libint_cr11gtg111d_h_
 
#include <generic_rr.h>
#include <util_types.h>
 
namespace libint2 {
 
  template <CartesianAxis Axis>
    class CR_11_GTG_11_1d : public GenericRecurrenceRelation< CR_11_GTG_11_1d<Axis>,
                                                              CGShell1d<Axis>,
                                                              GenIntegralSet_11_11<CGShell1d<Axis>,GTG_1d,EmptySet> >
    {
    public:
      typedef CR_11_GTG_11_1d ThisType;
      typedef CGShell1d<Axis> BasisFunctionType;
      typedef GenIntegralSet_11_11<BasisFunctionType,GTG_1d,EmptySet> TargetType;
      typedef GenericRecurrenceRelation<ThisType,BasisFunctionType,TargetType> ParentType;
      friend class GenericRecurrenceRelation<ThisType,BasisFunctionType,TargetType>;
      static const unsigned int max_nchildren = 1;
 
      using ParentType::Instance;
 
      static bool directional() { return false; }
 
    private:
      using ParentType::RecurrenceRelation::expr_;
      using ParentType::RecurrenceRelation::nflops_;
      using ParentType::target_;
      using ParentType::is_simple;
 
      CR_11_GTG_11_1d(const SafePtr<TargetType>&, unsigned int dir);
      static std::string descr() { return "CR"; }
 
#if LIBINT_ENABLE_GENERIC_CODE
    bool has_generic(const SafePtr<CompilationParameters>& cparams) const override { return true; }
    std::string generic_header() const override { return "VRR_GTG_1d_xx_xx.h"; }
    std::string generic_instance(const SafePtr<CodeContext>& context, const SafePtr<CodeSymbols>& args) const override;
#endif
    };
 
  template <CartesianAxis Axis>
  CR_11_GTG_11_1d<Axis>::CR_11_GTG_11_1d(const SafePtr<TargetType>& Tint,
                                         unsigned int dir) :
    ParentType(Tint,dir)
    {
      if (dir != 0)
        return;
      const GTG_1d oper;
 
      BasisFunctionType _0(0);
 
      if (target_->oper()->descr().contracted())
        return;
 
      ChildFactory<ThisType,TargetType> factory(this);
      auto _00_GTG_00 = factory.make_child(_0,_0,_0,_0,0u,oper);
 
    }
 
#if LIBINT_ENABLE_GENERIC_CODE
  template <CartesianAxis Axis>
  std::string
  CR_11_GTG_11_1d<Axis>::generic_instance(const SafePtr<CodeContext>& context, const SafePtr<CodeSymbols>& args) const {
 
      std::ostringstream oss;
      auto a = target_->bra(0,0);
      auto b = target_->ket(0,0);
      auto c = target_->bra(1,0);
      auto d = target_->kt(1,0);
 
      const bool vec = (context->cparams()->max_vector_length() != 1);
 
      oss << "VRR_GTG_1d_xx_xx::compute<"
          << to_string<Axis> << ","
          << a[0] << ","
          << b[0] << ","
          << c[0] << ","
          << d[0] << ","
          << (vec ? "true" : "false") << ">::compute(";
 
      const unsigned int nargs = args->n();
      for(unsigned int a=0; a<nargs; a++) {
        oss << args->symbol(a) << ",";
      }
 
      oss << ",inteval->_00_GTG1d_00_" << to_string(Axis) << ");";
 
      // force some quantities on the list of task symbols
      {
        LibraryTaskManager& taskmgr = LibraryTaskManager::Instance();
        std::list<std::string> forced_symbol;
        forced_symbol.push_back(std::string("AB_") + to_string(Axis));
        forced_symbol.push_back(std::string("CD_") + to_string(Axis));
        forced_symbol.push_back(std::string("R12kG12_pfac0_0_") + to_string(Axis));
        forced_symbol.push_back(std::string("R12kG12_pfac0_1_") + to_string(Axis));
        forced_symbol.push_back(std::string("R12kG12_pfac1_0"));
        forced_symbol.push_back(std::string("R12kG12_pfac1_1"));
        forced_symbol.push_back(std::string("R12kG12_pfac2"));
        taskmgr.current().symbols()->add(forced_symbol);
      }
 
      return oss.str();
  }
#endif
 
};
 
#endif