mirror of
https://github.com/triqs/dft_tools
synced 2024-12-27 14:53:39 +01:00
74 lines
2.5 KiB
C++
74 lines
2.5 KiB
C++
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/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2011 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#ifndef TRIQS_GRID_GENERATOR_H
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#define TRIQS_GRID_GENERATOR_H
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#include <triqs/arrays/array.hpp>
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namespace triqs { namespace lattice_tools {
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/**
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* Generate the point in a cuboid as an array<double,1> const &
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*/
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class grid_generator :
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public boost::iterator_facade< grid_generator, K_type const &, boost::forward_traversal_tag, K_type const & > {
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friend class boost::iterator_core_access;
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size_t dim, nkpts,nx,ny,nz,N_X,N_Y,N_Z,index_;
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double step_x, step_y, step_z;
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bool at_end;
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K_type pt;
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void init() {
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nx=0; ny=0; nz=0;at_end = false;index_ =0;
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N_X = nkpts;
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N_Y = (dim>1 ? nkpts : 1);
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N_Z = (dim>2 ? nkpts : 1);
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step_x = 1.0/double(N_X); step_y = 1.0/double(N_Y); step_z = 1.0/double(N_Z);
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pt(0)=step_x/2; pt(1)=step_y/2; pt(2)=step_z/2;
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}
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void increment() {
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if (nx<N_X-1) { ++nx; pt(0) += step_x; ++index_; return;}
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pt(0) = step_x/2; nx = 0;
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if (ny<N_Y-1) { ++ny; pt(1) += step_y; ++index_; return;}
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pt(1) = step_y/2; ny = 0;
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if (nz<N_Z-1) { ++nz; pt(2) += step_z; ++index_; return;}
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at_end = true;
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}
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value_type dereference() const { return pt;}
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bool equal(grid_generator const & other) const { return ((other.dim == dim) && (other.index_==index_) && (other.nkpts==nkpts));}
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public:
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/// dim : dimension, nkpts : number of k point in each dimension
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grid_generator(size_t dim_, size_t nkpts_): dim(dim_),nkpts(nkpts_), pt(3) {init();}
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grid_generator():dim(3), nkpts(0), pt(3) {init();}
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size_t size () const { return (N_X * N_Y * N_Z);}
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size_t index() const { return index_;}
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operator bool() const { return !(at_end);}
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};
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}}
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#endif
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