mirror of https://github.com/phonopy/phono3py.git
68 lines
3.2 KiB
C
68 lines
3.2 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 __imag_self_energy_with_g_H__
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#define __imag_self_energy_with_g_H__
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#include <stddef.h>
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#include <stdint.h>
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#include "phonoc_array.h"
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void ise_get_imag_self_energy_with_g(
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double *imag_self_energy, const Darray *fc3_normal_squared,
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const double *frequencies, const int64_t (*triplets)[3],
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const int64_t *triplet_weights, const double *g, const char *g_zero,
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const double temperature, const double cutoff_frequency,
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const int64_t num_frequency_points, const int64_t frequency_point_index);
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void ise_get_detailed_imag_self_energy_with_g(
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double *detailed_imag_self_energy, double *imag_self_energy_N,
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double *imag_self_energy_U, const Darray *fc3_normal_squared,
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const double *frequencies, const int64_t (*triplets)[3],
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const int64_t *triplet_weights, const int64_t (*bz_grid_addresses)[3],
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const double *g, const char *g_zero, const double temperature,
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const double cutoff_frequency);
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void ise_imag_self_energy_at_triplet(
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double *imag_self_energy, const int64_t num_band0, const int64_t num_band,
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const double *fc3_normal_squared, const double *frequencies,
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const int64_t triplet[3], const int64_t triplet_weight, const double *g1,
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const double *g2_3, const int64_t (*g_pos)[4], const int64_t num_g_pos,
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const double *temperatures, const int64_t num_temps,
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const double cutoff_frequency, const int64_t openmp_possible,
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const int64_t at_a_frequency_point);
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int64_t ise_set_g_pos(int64_t (*g_pos)[4], const int64_t num_band0,
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const int64_t num_band, const char *g_zero);
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#endif
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