mirror of https://github.com/phonopy/phonopy.git
82 lines
4.2 KiB
C
82 lines
4.2 KiB
C
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/* Copyright (C) 2015 Atsushi Togo */
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/* All rights reserved. */
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/* This file was originally part of spglib and is part of kspclib. */
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/* Redistribution and use in source and binary forms, with or without */
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/* modification, are permitted provided that the following conditions */
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/* are met: */
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/* * Redistributions of source code must retain the above copyright */
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/* notice, this list of conditions and the following disclaimer. */
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/* * Redistributions in binary form must reproduce the above copyright */
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/* notice, this list of conditions and the following disclaimer in */
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/* the documentation and/or other materials provided with the */
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/* distribution. */
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/* * Neither the name of the phonopy project nor the names of its */
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/* contributors may be used to endorse or promote products derived */
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/* from this software without specific prior written permission. */
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/* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS */
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/* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT */
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/* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS */
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/* FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE */
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/* COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, */
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/* INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, */
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/* BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; */
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/* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER */
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/* CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT */
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/* LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN */
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/* ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE */
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/* POSSIBILITY OF SUCH DAMAGE. */
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#ifndef __kgrid_H__
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#define __kgrid_H__
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/* #define GRID_ORDER_XYZ */
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/* This changes behaviour of index order of address. */
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/* Without GRID_ORDER_XYZ, left most element of address runs first. */
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/* grid_address (e.g. 4x4x4 mesh, unless GRID_ORDER_XYZ is defined) */
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/* [[ 0 0 0] */
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/* [ 1 0 0] */
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/* [ 2 0 0] */
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/* [-1 0 0] */
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/* [ 0 1 0] */
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/* [ 1 1 0] */
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/* [ 2 1 0] */
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/* [-1 1 0] */
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/* .... ] */
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/* */
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/* With GRID_ORDER_XYZ, right most element of address runs first. */
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/* grid_address (e.g. 4x4x4 mesh, if GRID_ORDER_XYZ is defined) */
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/* [[ 0 0 0] */
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/* [ 0 0 1] */
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/* [ 0 0 2] */
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/* [ 0 0 -1] */
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/* [ 0 1 0] */
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/* [ 0 1 1] */
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/* [ 0 1 2] */
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/* [ 0 1 -1] */
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/* .... ] */
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/* #define GRID_BOUNDARY_AS_NEGATIVE */
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/* This changes the behaviour of address elements on the surface of */
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/* parallelepiped. */
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/* For odd mesh number, this affects nothing, e.g., [-2, -1, 0, 1, 2]. */
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/* regardless of with and without GRID_BOUNDARY_AS_NEGATIVE. */
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/* For even mesh number, this affects as follows: */
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/* without GRID_BOUNDARY_AS_NEGATIVE, e.g., [-2, -1, 0, 1, 2, 3]. */
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/* with GRID_BOUNDARY_AS_NEGATIVE, e.g., [-3, -2, -1, 0, 1, 2]. */
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void kgd_get_all_grid_addresses(int grid_address[][3], const int mesh[3]);
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int kgd_get_grid_point_double_mesh(const int address_double[3],
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const int mesh[3]);
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void kgd_get_grid_address_double_mesh(int address_double[3],
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const int address[3],
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const int mesh[3],
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const int is_shift[3]);
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#endif
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