dft_tools/triqs/lattice/grid_generator.hpp

/*******************************************************************************
 *
 * TRIQS: a Toolbox for Research in Interacting Quantum Systems
 *
 * Copyright (C) 2011 by M. Ferrero, O. Parcollet
 *
 * TRIQS 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.
 *
 * TRIQS 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
 * TRIQS. If not, see <http://www.gnu.org/licenses/>.
 *
 ******************************************************************************/
#pragma once
#include "./brillouin_zone.hpp"

namespace triqs {
namespace lattice {

 /**
  * Generate the point in a cuboid as an array<double,1> const &
  */
 class grid_generator : public boost::iterator_facade<grid_generator, k_t const &, boost::forward_traversal_tag, k_t const &> {
  friend class boost::iterator_core_access;
  int dim, nkpts, nx, ny, nz, N_X, N_Y, N_Z, index_;
  double step_x, step_y, step_z;
  bool at_end;
  k_t pt;
  void init() {
   nx = 0;
   ny = 0;
   nz = 0;
   at_end = false;
   index_ = 0;
   N_X = nkpts;
   N_Y = (dim > 1 ? nkpts : 1);
   N_Z = (dim > 2 ? nkpts : 1);
   step_x = 1.0 / double(N_X);
   step_y = 1.0 / double(N_Y);
   step_z = 1.0 / double(N_Z);
   pt(0) = step_x / 2;
   pt(1) = step_y / 2;
   pt(2) = step_z / 2;
  }

  void increment() {
   if (nx < N_X - 1) {
    ++nx;
    pt(0) += step_x;
    ++index_;
    return;
   }
   pt(0) = step_x / 2;
   nx = 0;
   if (ny < N_Y - 1) {
    ++ny;
    pt(1) += step_y;
    ++index_;
    return;
   }
   pt(1) = step_y / 2;
   ny = 0;
   if (nz < N_Z - 1) {
    ++nz;
    pt(2) += step_z;
    ++index_;
    return;
   }
   at_end = true;
  }

  value_type dereference() const { return pt; }
  bool equal(grid_generator const &other) const {
   return ((other.dim == dim) && (other.index_ == index_) && (other.nkpts == nkpts));
  }

  public:
  /// dim : dimension, nkpts : number of k point in each dimension
  grid_generator(int dim_, int nkpts_) : dim(dim_), nkpts(nkpts_), pt(3) { init(); }
  grid_generator() : dim(3), nkpts(0), pt(3) { init(); }
  int size() const { return (N_X * N_Y * N_Z); }
  int index() const { return index_; }
  operator bool() const { return !(at_end); }
 };
}
}