mirror of https://github.com/phonopy/phono3py.git
58 lines
2.6 KiB
C
58 lines
2.6 KiB
C
/* Copyright (C) 2015 Atsushi Togo */
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/* All rights reserved. */
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/* This file is part of phonopy. */
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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 __collision_matrix_H__
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#define __collision_matrix_H__
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#include <stdint.h>
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#include "phonoc_array.h"
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void col_get_collision_matrix(
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double *collision_matrix, const Darray *fc3_normal_squared,
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const double *frequencies, const int64_t (*triplets)[3],
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const int64_t *triplets_map, const int64_t *map_q,
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const int64_t *rot_grid_points, const double *rotations_cartesian,
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const double *g, const int64_t num_ir_gp, const int64_t num_gp,
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const int64_t num_rot, const double temperature,
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const double unit_conversion_factor, const double cutoff_frequency);
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void col_get_reducible_collision_matrix(
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double *collision_matrix, const Darray *fc3_normal_squared,
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const double *frequencies, const int64_t (*triplets)[3],
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const int64_t *triplets_map, const int64_t *map_q, const double *g,
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const int64_t num_gp, const double temperature,
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const double unit_conversion_factor, const double cutoff_frequency);
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#endif
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