mirror of https://github.com/phonopy/phono3py.git
92 lines
3.5 KiB
C
92 lines
3.5 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 __lapack_wrapper_H__
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#define __lapack_wrapper_H__
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#include <stdint.h>
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#if defined(_MSC_VER) || defined(MKL_BLAS) || defined(SCIPY_MKL_H)
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#if defined(_MSC_VER)
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typedef struct {
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double real;
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double imag;
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} lapack_complex_double;
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#else
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#include <mkl.h>
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#define lapack_complex_double MKL_Complex16
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#endif
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lapack_complex_double lapack_make_complex_double(double re, double im);
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#define lapack_complex_double_real(z) ((z).real)
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#define lapack_complex_double_imag(z) ((z).imag)
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#else
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#if defined(NO_INCLUDE_LAPACKE)
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#include <complex.h>
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#define lapack_complex_double double _Complex
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#ifdef CMPLX
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#define lapack_make_complex_double(re, im) CMPLX(re, im)
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#else
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#define lapack_make_complex_double(re, im) ((double _Complex)((re) + (im) * I))
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#endif
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#define lapack_complex_double_real(z) (creal(z))
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#define lapack_complex_double_imag(z) (cimag(z))
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#else
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#if !defined(MKL_BLAS) && !defined(SCIPY_MKL_H)
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#include <lapacke.h>
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#endif
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#endif
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#endif
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lapack_complex_double phonoc_complex_prod(const lapack_complex_double a,
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const lapack_complex_double b);
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#ifndef NO_INCLUDE_LAPACKE
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int phonopy_zheev(double *w, lapack_complex_double *a, const int n,
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const char uplo);
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int phonopy_pinv(double *data_out, const double *data_in, const int m,
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const int n, const double cutoff);
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void phonopy_pinv_mt(double *data_out, int *info_out, const double *data_in,
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const int num_thread, const int *row_nums,
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const int max_row_num, const int column_num,
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const double cutoff);
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int phonopy_dsyev(double *data, double *eigvals, const int size,
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const int algorithm);
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void pinv_from_eigensolution(double *data, const double *eigvals,
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const int64_t size, const double cutoff,
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const int64_t pinv_method);
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#endif
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#endif
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