forked from lijiext/lammps
483 lines
15 KiB
Fortran
483 lines
15 KiB
Fortran
*> \brief \b DSTEDC
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*
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* =========== DOCUMENTATION ===========
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*
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* Online html documentation available at
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* http://www.netlib.org/lapack/explore-html/
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*
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*> \htmlonly
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*> Download DSTEDC + dependencies
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*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.tgz?format=tgz&filename=/lapack/lapack_routine/dstedc.f">
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*> [TGZ]</a>
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*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.zip?format=zip&filename=/lapack/lapack_routine/dstedc.f">
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*> [ZIP]</a>
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*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.txt?format=txt&filename=/lapack/lapack_routine/dstedc.f">
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*> [TXT]</a>
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*> \endhtmlonly
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*
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* Definition:
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* ===========
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*
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* SUBROUTINE DSTEDC( COMPZ, N, D, E, Z, LDZ, WORK, LWORK, IWORK,
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* LIWORK, INFO )
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*
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* .. Scalar Arguments ..
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* CHARACTER COMPZ
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* INTEGER INFO, LDZ, LIWORK, LWORK, N
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* ..
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* .. Array Arguments ..
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* INTEGER IWORK( * )
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* DOUBLE PRECISION D( * ), E( * ), WORK( * ), Z( LDZ, * )
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* ..
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*
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*
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*> \par Purpose:
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* =============
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*>
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*> \verbatim
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*>
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*> DSTEDC computes all eigenvalues and, optionally, eigenvectors of a
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*> symmetric tridiagonal matrix using the divide and conquer method.
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*> The eigenvectors of a full or band real symmetric matrix can also be
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*> found if DSYTRD or DSPTRD or DSBTRD has been used to reduce this
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*> matrix to tridiagonal form.
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*>
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*> This code makes very mild assumptions about floating point
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*> arithmetic. It will work on machines with a guard digit in
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*> add/subtract, or on those binary machines without guard digits
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*> which subtract like the Cray X-MP, Cray Y-MP, Cray C-90, or Cray-2.
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*> It could conceivably fail on hexadecimal or decimal machines
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*> without guard digits, but we know of none. See DLAED3 for details.
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*> \endverbatim
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*
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* Arguments:
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* ==========
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*
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*> \param[in] COMPZ
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*> \verbatim
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*> COMPZ is CHARACTER*1
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*> = 'N': Compute eigenvalues only.
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*> = 'I': Compute eigenvectors of tridiagonal matrix also.
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*> = 'V': Compute eigenvectors of original dense symmetric
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*> matrix also. On entry, Z contains the orthogonal
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*> matrix used to reduce the original matrix to
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*> tridiagonal form.
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*> \endverbatim
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*>
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*> \param[in] N
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*> \verbatim
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*> N is INTEGER
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*> The dimension of the symmetric tridiagonal matrix. N >= 0.
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*> \endverbatim
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*>
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*> \param[in,out] D
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*> \verbatim
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*> D is DOUBLE PRECISION array, dimension (N)
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*> On entry, the diagonal elements of the tridiagonal matrix.
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*> On exit, if INFO = 0, the eigenvalues in ascending order.
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*> \endverbatim
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*>
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*> \param[in,out] E
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*> \verbatim
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*> E is DOUBLE PRECISION array, dimension (N-1)
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*> On entry, the subdiagonal elements of the tridiagonal matrix.
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*> On exit, E has been destroyed.
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*> \endverbatim
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*>
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*> \param[in,out] Z
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*> \verbatim
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*> Z is DOUBLE PRECISION array, dimension (LDZ,N)
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*> On entry, if COMPZ = 'V', then Z contains the orthogonal
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*> matrix used in the reduction to tridiagonal form.
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*> On exit, if INFO = 0, then if COMPZ = 'V', Z contains the
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*> orthonormal eigenvectors of the original symmetric matrix,
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*> and if COMPZ = 'I', Z contains the orthonormal eigenvectors
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*> of the symmetric tridiagonal matrix.
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*> If COMPZ = 'N', then Z is not referenced.
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*> \endverbatim
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*>
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*> \param[in] LDZ
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*> \verbatim
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*> LDZ is INTEGER
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*> The leading dimension of the array Z. LDZ >= 1.
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*> If eigenvectors are desired, then LDZ >= max(1,N).
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*> \endverbatim
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*>
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*> \param[out] WORK
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*> \verbatim
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*> WORK is DOUBLE PRECISION array, dimension (MAX(1,LWORK))
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*> On exit, if INFO = 0, WORK(1) returns the optimal LWORK.
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*> \endverbatim
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*>
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*> \param[in] LWORK
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*> \verbatim
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*> LWORK is INTEGER
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*> The dimension of the array WORK.
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*> If COMPZ = 'N' or N <= 1 then LWORK must be at least 1.
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*> If COMPZ = 'V' and N > 1 then LWORK must be at least
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*> ( 1 + 3*N + 2*N*lg N + 4*N**2 ),
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*> where lg( N ) = smallest integer k such
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*> that 2**k >= N.
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*> If COMPZ = 'I' and N > 1 then LWORK must be at least
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*> ( 1 + 4*N + N**2 ).
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*> Note that for COMPZ = 'I' or 'V', then if N is less than or
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*> equal to the minimum divide size, usually 25, then LWORK need
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*> only be max(1,2*(N-1)).
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*>
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*> If LWORK = -1, then a workspace query is assumed; the routine
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*> only calculates the optimal size of the WORK array, returns
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*> this value as the first entry of the WORK array, and no error
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*> message related to LWORK is issued by XERBLA.
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*> \endverbatim
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*>
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*> \param[out] IWORK
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*> \verbatim
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*> IWORK is INTEGER array, dimension (MAX(1,LIWORK))
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*> On exit, if INFO = 0, IWORK(1) returns the optimal LIWORK.
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*> \endverbatim
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*>
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*> \param[in] LIWORK
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*> \verbatim
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*> LIWORK is INTEGER
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*> The dimension of the array IWORK.
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*> If COMPZ = 'N' or N <= 1 then LIWORK must be at least 1.
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*> If COMPZ = 'V' and N > 1 then LIWORK must be at least
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*> ( 6 + 6*N + 5*N*lg N ).
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*> If COMPZ = 'I' and N > 1 then LIWORK must be at least
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*> ( 3 + 5*N ).
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*> Note that for COMPZ = 'I' or 'V', then if N is less than or
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*> equal to the minimum divide size, usually 25, then LIWORK
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*> need only be 1.
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*>
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*> If LIWORK = -1, then a workspace query is assumed; the
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*> routine only calculates the optimal size of the IWORK array,
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*> returns this value as the first entry of the IWORK array, and
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*> no error message related to LIWORK is issued by XERBLA.
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*> \endverbatim
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*>
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*> \param[out] INFO
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*> \verbatim
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*> INFO is INTEGER
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*> = 0: successful exit.
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*> < 0: if INFO = -i, the i-th argument had an illegal value.
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*> > 0: The algorithm failed to compute an eigenvalue while
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*> working on the submatrix lying in rows and columns
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*> INFO/(N+1) through mod(INFO,N+1).
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*> \endverbatim
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*
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* Authors:
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* ========
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*
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*> \author Univ. of Tennessee
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*> \author Univ. of California Berkeley
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*> \author Univ. of Colorado Denver
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*> \author NAG Ltd.
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*
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*> \date June 2017
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*
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*> \ingroup auxOTHERcomputational
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*
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*> \par Contributors:
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* ==================
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*>
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*> Jeff Rutter, Computer Science Division, University of California
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*> at Berkeley, USA \n
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*> Modified by Francoise Tisseur, University of Tennessee
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*>
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* =====================================================================
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SUBROUTINE DSTEDC( COMPZ, N, D, E, Z, LDZ, WORK, LWORK, IWORK,
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$ LIWORK, INFO )
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*
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* -- LAPACK computational routine (version 3.7.1) --
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* -- LAPACK is a software package provided by Univ. of Tennessee, --
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* -- Univ. of California Berkeley, Univ. of Colorado Denver and NAG Ltd..--
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* June 2017
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*
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* .. Scalar Arguments ..
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CHARACTER COMPZ
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INTEGER INFO, LDZ, LIWORK, LWORK, N
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* ..
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* .. Array Arguments ..
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INTEGER IWORK( * )
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DOUBLE PRECISION D( * ), E( * ), WORK( * ), Z( LDZ, * )
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* ..
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*
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* =====================================================================
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*
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* .. Parameters ..
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DOUBLE PRECISION ZERO, ONE, TWO
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PARAMETER ( ZERO = 0.0D0, ONE = 1.0D0, TWO = 2.0D0 )
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* ..
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* .. Local Scalars ..
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LOGICAL LQUERY
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INTEGER FINISH, I, ICOMPZ, II, J, K, LGN, LIWMIN,
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$ LWMIN, M, SMLSIZ, START, STOREZ, STRTRW
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DOUBLE PRECISION EPS, ORGNRM, P, TINY
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* ..
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* .. External Functions ..
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LOGICAL LSAME
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INTEGER ILAENV
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DOUBLE PRECISION DLAMCH, DLANST
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EXTERNAL LSAME, ILAENV, DLAMCH, DLANST
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* ..
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* .. External Subroutines ..
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EXTERNAL DGEMM, DLACPY, DLAED0, DLASCL, DLASET, DLASRT,
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$ DSTEQR, DSTERF, DSWAP, XERBLA
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* ..
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* .. Intrinsic Functions ..
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INTRINSIC ABS, DBLE, INT, LOG, MAX, MOD, SQRT
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* ..
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* .. Executable Statements ..
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*
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* Test the input parameters.
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*
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INFO = 0
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LQUERY = ( LWORK.EQ.-1 .OR. LIWORK.EQ.-1 )
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*
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IF( LSAME( COMPZ, 'N' ) ) THEN
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ICOMPZ = 0
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ELSE IF( LSAME( COMPZ, 'V' ) ) THEN
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ICOMPZ = 1
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ELSE IF( LSAME( COMPZ, 'I' ) ) THEN
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ICOMPZ = 2
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ELSE
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ICOMPZ = -1
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END IF
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IF( ICOMPZ.LT.0 ) THEN
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INFO = -1
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ELSE IF( N.LT.0 ) THEN
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INFO = -2
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ELSE IF( ( LDZ.LT.1 ) .OR.
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$ ( ICOMPZ.GT.0 .AND. LDZ.LT.MAX( 1, N ) ) ) THEN
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INFO = -6
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END IF
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*
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IF( INFO.EQ.0 ) THEN
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*
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* Compute the workspace requirements
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*
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SMLSIZ = ILAENV( 9, 'DSTEDC', ' ', 0, 0, 0, 0 )
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IF( N.LE.1 .OR. ICOMPZ.EQ.0 ) THEN
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LIWMIN = 1
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LWMIN = 1
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ELSE IF( N.LE.SMLSIZ ) THEN
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LIWMIN = 1
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LWMIN = 2*( N - 1 )
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ELSE
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LGN = INT( LOG( DBLE( N ) )/LOG( TWO ) )
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IF( 2**LGN.LT.N )
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$ LGN = LGN + 1
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IF( 2**LGN.LT.N )
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$ LGN = LGN + 1
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IF( ICOMPZ.EQ.1 ) THEN
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LWMIN = 1 + 3*N + 2*N*LGN + 4*N**2
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LIWMIN = 6 + 6*N + 5*N*LGN
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ELSE IF( ICOMPZ.EQ.2 ) THEN
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LWMIN = 1 + 4*N + N**2
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LIWMIN = 3 + 5*N
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END IF
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END IF
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WORK( 1 ) = LWMIN
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IWORK( 1 ) = LIWMIN
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*
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IF( LWORK.LT.LWMIN .AND. .NOT. LQUERY ) THEN
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INFO = -8
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ELSE IF( LIWORK.LT.LIWMIN .AND. .NOT. LQUERY ) THEN
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INFO = -10
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END IF
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END IF
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*
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IF( INFO.NE.0 ) THEN
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CALL XERBLA( 'DSTEDC', -INFO )
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RETURN
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ELSE IF (LQUERY) THEN
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RETURN
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END IF
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*
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* Quick return if possible
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*
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IF( N.EQ.0 )
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$ RETURN
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IF( N.EQ.1 ) THEN
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IF( ICOMPZ.NE.0 )
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$ Z( 1, 1 ) = ONE
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RETURN
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END IF
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*
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* If the following conditional clause is removed, then the routine
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* will use the Divide and Conquer routine to compute only the
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* eigenvalues, which requires (3N + 3N**2) real workspace and
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* (2 + 5N + 2N lg(N)) integer workspace.
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* Since on many architectures DSTERF is much faster than any other
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* algorithm for finding eigenvalues only, it is used here
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* as the default. If the conditional clause is removed, then
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* information on the size of workspace needs to be changed.
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*
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* If COMPZ = 'N', use DSTERF to compute the eigenvalues.
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*
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IF( ICOMPZ.EQ.0 ) THEN
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CALL DSTERF( N, D, E, INFO )
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GO TO 50
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END IF
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*
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* If N is smaller than the minimum divide size (SMLSIZ+1), then
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* solve the problem with another solver.
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*
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IF( N.LE.SMLSIZ ) THEN
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*
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CALL DSTEQR( COMPZ, N, D, E, Z, LDZ, WORK, INFO )
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*
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ELSE
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*
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* If COMPZ = 'V', the Z matrix must be stored elsewhere for later
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* use.
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*
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IF( ICOMPZ.EQ.1 ) THEN
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STOREZ = 1 + N*N
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ELSE
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STOREZ = 1
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END IF
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*
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IF( ICOMPZ.EQ.2 ) THEN
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CALL DLASET( 'Full', N, N, ZERO, ONE, Z, LDZ )
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END IF
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*
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* Scale.
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*
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ORGNRM = DLANST( 'M', N, D, E )
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IF( ORGNRM.EQ.ZERO )
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$ GO TO 50
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*
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EPS = DLAMCH( 'Epsilon' )
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*
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START = 1
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*
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* while ( START <= N )
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*
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10 CONTINUE
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IF( START.LE.N ) THEN
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*
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* Let FINISH be the position of the next subdiagonal entry
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* such that E( FINISH ) <= TINY or FINISH = N if no such
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* subdiagonal exists. The matrix identified by the elements
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* between START and FINISH constitutes an independent
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* sub-problem.
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*
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FINISH = START
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20 CONTINUE
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IF( FINISH.LT.N ) THEN
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TINY = EPS*SQRT( ABS( D( FINISH ) ) )*
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$ SQRT( ABS( D( FINISH+1 ) ) )
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IF( ABS( E( FINISH ) ).GT.TINY ) THEN
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FINISH = FINISH + 1
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GO TO 20
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END IF
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END IF
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*
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* (Sub) Problem determined. Compute its size and solve it.
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*
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M = FINISH - START + 1
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IF( M.EQ.1 ) THEN
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START = FINISH + 1
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GO TO 10
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END IF
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IF( M.GT.SMLSIZ ) THEN
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*
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* Scale.
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*
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ORGNRM = DLANST( 'M', M, D( START ), E( START ) )
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CALL DLASCL( 'G', 0, 0, ORGNRM, ONE, M, 1, D( START ), M,
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$ INFO )
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CALL DLASCL( 'G', 0, 0, ORGNRM, ONE, M-1, 1, E( START ),
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$ M-1, INFO )
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*
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IF( ICOMPZ.EQ.1 ) THEN
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STRTRW = 1
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ELSE
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STRTRW = START
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END IF
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CALL DLAED0( ICOMPZ, N, M, D( START ), E( START ),
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$ Z( STRTRW, START ), LDZ, WORK( 1 ), N,
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$ WORK( STOREZ ), IWORK, INFO )
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IF( INFO.NE.0 ) THEN
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INFO = ( INFO / ( M+1 )+START-1 )*( N+1 ) +
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$ MOD( INFO, ( M+1 ) ) + START - 1
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GO TO 50
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END IF
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*
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* Scale back.
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*
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CALL DLASCL( 'G', 0, 0, ONE, ORGNRM, M, 1, D( START ), M,
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$ INFO )
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*
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ELSE
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IF( ICOMPZ.EQ.1 ) THEN
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*
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* Since QR won't update a Z matrix which is larger than
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* the length of D, we must solve the sub-problem in a
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* workspace and then multiply back into Z.
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*
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CALL DSTEQR( 'I', M, D( START ), E( START ), WORK, M,
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$ WORK( M*M+1 ), INFO )
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CALL DLACPY( 'A', N, M, Z( 1, START ), LDZ,
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$ WORK( STOREZ ), N )
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CALL DGEMM( 'N', 'N', N, M, M, ONE,
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$ WORK( STOREZ ), N, WORK, M, ZERO,
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$ Z( 1, START ), LDZ )
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ELSE IF( ICOMPZ.EQ.2 ) THEN
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CALL DSTEQR( 'I', M, D( START ), E( START ),
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$ Z( START, START ), LDZ, WORK, INFO )
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ELSE
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CALL DSTERF( M, D( START ), E( START ), INFO )
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END IF
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IF( INFO.NE.0 ) THEN
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INFO = START*( N+1 ) + FINISH
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GO TO 50
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END IF
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END IF
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*
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START = FINISH + 1
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GO TO 10
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END IF
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*
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* endwhile
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*
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IF( ICOMPZ.EQ.0 ) THEN
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*
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* Use Quick Sort
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*
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CALL DLASRT( 'I', N, D, INFO )
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*
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ELSE
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*
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* Use Selection Sort to minimize swaps of eigenvectors
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*
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DO 40 II = 2, N
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I = II - 1
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K = I
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P = D( I )
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DO 30 J = II, N
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IF( D( J ).LT.P ) THEN
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K = J
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P = D( J )
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END IF
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30 CONTINUE
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IF( K.NE.I ) THEN
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D( K ) = D( I )
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D( I ) = P
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CALL DSWAP( N, Z( 1, I ), 1, Z( 1, K ), 1 )
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END IF
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40 CONTINUE
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END IF
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END IF
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*
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50 CONTINUE
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WORK( 1 ) = LWMIN
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IWORK( 1 ) = LIWMIN
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*
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RETURN
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*
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* End of DSTEDC
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*
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END
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