Blame eigen/hermv.c

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/* eigen/hermv.c
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 * 
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 * Copyright (C) 2001, 2007 Brian Gough
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 * 
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 * This program is free software; you can redistribute it and/or modify
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 * it under the terms of the GNU General Public License as published by
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 * the Free Software Foundation; either version 3 of the License, or (at
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 * your option) any later version.
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 * 
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 * This program is distributed in the hope that it will be useful, but
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 * WITHOUT ANY WARRANTY; without even the implied warranty of
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 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
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 * General Public License for more details.
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 * 
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 * You should have received a copy of the GNU General Public License
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 * along with this program; if not, write to the Free Software
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 * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
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 */
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#include <config.h>
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#include <stdlib.h>
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#include <gsl/gsl_math.h>
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#include <gsl/gsl_vector.h>
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#include <gsl/gsl_matrix.h>
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#include <gsl/gsl_complex_math.h>
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#include <gsl/gsl_linalg.h>
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#include <gsl/gsl_eigen.h>
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/* Compute eigenvalues/eigenvectors of complex hermitian matrix using
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   reduction to real symmetric tridiagonal form, followed by QR
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   iteration with implicit shifts.
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   See Golub & Van Loan, "Matrix Computations" (3rd ed), Section 8.3 */
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#include "qrstep.c"
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gsl_eigen_hermv_workspace * 
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gsl_eigen_hermv_alloc (const size_t n)
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{
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  gsl_eigen_hermv_workspace * w ;
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  if (n == 0)
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    {
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      GSL_ERROR_NULL ("matrix dimension must be positive integer", GSL_EINVAL);
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    }
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  w = (gsl_eigen_hermv_workspace *) malloc (sizeof(gsl_eigen_hermv_workspace));
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  if (w == 0)
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    {
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      GSL_ERROR_NULL ("failed to allocate space for workspace", GSL_ENOMEM);
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    }
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  w->d = (double *) malloc (n * sizeof (double));
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  if (w->d == 0)
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    {
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      free (w);
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      GSL_ERROR_NULL ("failed to allocate space for diagonal", GSL_ENOMEM);
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    }
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  w->sd = (double *) malloc (n * sizeof (double));
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  if (w->sd == 0)
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    {
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      free (w->d);
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      free (w);
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      GSL_ERROR_NULL ("failed to allocate space for subdiagonal", GSL_ENOMEM);
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    }
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  w->tau = (double *) malloc (2 * n * sizeof (double));
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  if (w->tau == 0)
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    {
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      free (w->sd);
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      free (w->d);
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      free (w);
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      GSL_ERROR_NULL ("failed to allocate space for tau", GSL_ENOMEM);
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    }
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  w->gc = (double *) malloc (n * sizeof (double));
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  if (w->gc == 0)
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    {
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      free (w->tau);
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      free (w->sd);
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      free (w->d);
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      free (w);
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      GSL_ERROR_NULL ("failed to allocate space for cosines", GSL_ENOMEM);
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    }
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  w->gs = (double *) malloc (n * sizeof (double));
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  if (w->gs == 0)
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    {
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      free (w->gc);
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      free (w->tau);
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      free (w->sd);
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      free (w->d);
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      free (w);
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      GSL_ERROR_NULL ("failed to allocate space for sines", GSL_ENOMEM);
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    }
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  w->size = n;
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  return w;
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}
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void
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gsl_eigen_hermv_free (gsl_eigen_hermv_workspace * w)
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{
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  RETURN_IF_NULL (w);
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  free (w->gs);
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  free (w->gc);
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  free (w->tau);
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  free (w->sd);
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  free (w->d);
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  free (w);
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}
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int
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gsl_eigen_hermv (gsl_matrix_complex * A, gsl_vector * eval, 
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                       gsl_matrix_complex * evec,
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                       gsl_eigen_hermv_workspace * w)
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{
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  if (A->size1 != A->size2)
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    {
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      GSL_ERROR ("matrix must be square to compute eigenvalues", GSL_ENOTSQR);
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    }
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  else if (eval->size != A->size1)
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    {
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      GSL_ERROR ("eigenvalue vector must match matrix size", GSL_EBADLEN);
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    }
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  else if (evec->size1 != A->size1 || evec->size2 != A->size1)
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    {
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      GSL_ERROR ("eigenvector matrix must match matrix size", GSL_EBADLEN);
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    }
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  else
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    {
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      const size_t N = A->size1;
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      double *const d = w->d;
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      double *const sd = w->sd;
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      size_t a, b;
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      /* handle special case */
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      if (N == 1)
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        {
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          gsl_complex A00 = gsl_matrix_complex_get (A, 0, 0);
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          gsl_vector_set (eval, 0, GSL_REAL(A00));
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          gsl_matrix_complex_set (evec, 0, 0, GSL_COMPLEX_ONE);
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          return GSL_SUCCESS;
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        }
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      /* Transform the matrix into a symmetric tridiagonal form */
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      {
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        gsl_vector_view d_vec = gsl_vector_view_array (d, N);
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        gsl_vector_view sd_vec = gsl_vector_view_array (sd, N - 1);
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        gsl_vector_complex_view tau_vec = gsl_vector_complex_view_array (w->tau, N-1);
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        gsl_linalg_hermtd_decomp (A, &tau_vec.vector);
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        gsl_linalg_hermtd_unpack (A, &tau_vec.vector, evec, &d_vec.vector, &sd_vec.vector);
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      }
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      /* Make an initial pass through the tridiagonal decomposition
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         to remove off-diagonal elements which are effectively zero */
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      chop_small_elements (N, d, sd);
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      /* Progressively reduce the matrix until it is diagonal */
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      b = N - 1;
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      while (b > 0)
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        {
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          if (sd[b - 1] == 0.0 || isnan(sd[b - 1]))
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            {
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              b--;
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              continue;
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            }
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          /* Find the largest unreduced block (a,b) starting from b
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             and working backwards */
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          a = b - 1;
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          while (a > 0)
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            {
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              if (sd[a - 1] == 0.0)
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                {
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                  break;
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                }
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              a--;
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            }
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          {
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            size_t i;
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            const size_t n_block = b - a + 1;
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            double *d_block = d + a;
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            double *sd_block = sd + a;
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            double * const gc = w->gc;
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            double * const gs = w->gs;
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            /* apply QR reduction with implicit deflation to the
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               unreduced block */
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            qrstep (n_block, d_block, sd_block, gc, gs);
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            /* Apply  Givens rotation Gij(c,s) to matrix Q,  Q <- Q G */
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            for (i = 0; i < n_block - 1; i++)
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              {
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                const double c = gc[i], s = gs[i];
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                size_t k;
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                for (k = 0; k < N; k++)
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                  {
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                    gsl_complex qki = gsl_matrix_complex_get (evec, k, a + i);
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                    gsl_complex qkj = gsl_matrix_complex_get (evec, k, a + i + 1);
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                    /* qki <= qki * c - qkj * s */
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                    /* qkj <= qki * s + qkj * c */
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                    gsl_complex x1 = gsl_complex_mul_real(qki, c);
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                    gsl_complex y1 = gsl_complex_mul_real(qkj, -s);
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                    gsl_complex x2 = gsl_complex_mul_real(qki, s);
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                    gsl_complex y2 = gsl_complex_mul_real(qkj, c);
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                    gsl_complex qqki = gsl_complex_add(x1, y1);
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                    gsl_complex qqkj = gsl_complex_add(x2, y2);
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                    gsl_matrix_complex_set (evec, k, a + i, qqki);
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                    gsl_matrix_complex_set (evec, k, a + i + 1, qqkj);
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                  }
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              }
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            /* remove any small off-diagonal elements */
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            chop_small_elements (n_block, d_block, sd_block);
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          }
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        }
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      {
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        gsl_vector_view d_vec = gsl_vector_view_array (d, N);
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        gsl_vector_memcpy (eval, &d_vec.vector);
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      }
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      return GSL_SUCCESS;
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    }
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}