mirror of
https://github.com/triqs/dft_tools
synced 2024-06-25 22:52:20 +02:00
3807534ef8
-In triqs version 2.2 array_views no longer own the memory they point to This means that array variables that are local to a function should always be returned as arrray and never as an array_view
47 lines
1.8 KiB
C++
47 lines
1.8 KiB
C++
/*******************************************************************************
|
|
*
|
|
* This file is part of the ATM library.
|
|
*
|
|
* Copyright (C) 2010 by O. E. Peil
|
|
*
|
|
* 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 <triqs/arrays.hpp>
|
|
|
|
using triqs::arrays::array;
|
|
using triqs::arrays::array_view;
|
|
|
|
/// DOS of a band by analytical tetrahedron method
|
|
///
|
|
/// Returns corner weights for all tetrahedra for a given band and real energy.
|
|
array<double, 2>
|
|
dos_tetra_weights_3d(array_view<double, 1> eigk, /// Band energies for each k-point
|
|
double en, /// Energy at which DOS weights are to be calculated
|
|
array_view<long, 2> itt /// Tetrahedra defined by k-point indices
|
|
);
|
|
//array<double, 2>
|
|
//dos_tetra_weights_3d(array<double, 1> eigk, /// Band energies for each k-point
|
|
// double e, /// Energy at which DOS weights are to be calculated
|
|
// array<long, 2> itt /// Tetrahedra defined by k-point indices
|
|
//);
|
|
int dos_corner_weights(double en, double *eigs, int *inds, double *ci);
|
|
int dos_tet_weights(double en, double *eigs, int *inds, double *ct);
|
|
int dos_reorder(double en, double *e, int *inds);
|
|
|
|
|
|
|