mirror of https://github.com/phonopy/phono3py.git
59 lines
2.8 KiB
C
59 lines
2.8 KiB
C
/* Copyright (C) 2016 Atsushi Togo */
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/* All rights reserved. */
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/* phono3py. 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 __triplet_iw_H__
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#define __triplet_iw_H__
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#include "bzgrid.h"
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void tpi_get_integration_weight(
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double *iw, char *iw_zero, const double *frequency_points,
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const long num_band0, const long tp_relative_grid_address[2][24][4][3],
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const long triplets[3], const long num_triplets,
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const RecgridConstBZGrid *bzgrid, const double *frequencies1,
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const long num_band1, const double *frequencies2, const long num_band2,
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const long tp_type, const long openmp_per_triplets);
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void tpi_get_integration_weight_with_sigma(
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double *iw, char *iw_zero, const double sigma, const double cutoff,
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const double *frequency_points, const long num_band0, const long triplet[3],
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const long const_adrs_shift, const double *frequencies, const long num_band,
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const long tp_type, const long openmp_per_triplets);
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void tpi_get_neighboring_grid_points(long *neighboring_grid_points,
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const long grid_point,
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const long (*relative_grid_address)[3],
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const long num_relative_grid_address,
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const RecgridConstBZGrid *bzgrid);
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#endif
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