forked from lijiext/lammps
315 lines
9.4 KiB
Fortran
315 lines
9.4 KiB
Fortran
*> \brief \b DSYGV
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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 DSYGV + dependencies
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*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.tgz?format=tgz&filename=/lapack/lapack_routine/dsygv.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/dsygv.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/dsygv.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 DSYGV( ITYPE, JOBZ, UPLO, N, A, LDA, B, LDB, W, WORK,
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* LWORK, INFO )
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*
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* .. Scalar Arguments ..
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* CHARACTER JOBZ, UPLO
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* INTEGER INFO, ITYPE, LDA, LDB, LWORK, N
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* ..
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* .. Array Arguments ..
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* DOUBLE PRECISION A( LDA, * ), B( LDB, * ), W( * ), WORK( * )
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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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*> DSYGV computes all the eigenvalues, and optionally, the eigenvectors
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*> of a real generalized symmetric-definite eigenproblem, of the form
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*> A*x=(lambda)*B*x, A*Bx=(lambda)*x, or B*A*x=(lambda)*x.
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*> Here A and B are assumed to be symmetric and B is also
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*> positive definite.
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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] ITYPE
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*> \verbatim
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*> ITYPE is INTEGER
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*> Specifies the problem type to be solved:
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*> = 1: A*x = (lambda)*B*x
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*> = 2: A*B*x = (lambda)*x
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*> = 3: B*A*x = (lambda)*x
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*> \endverbatim
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*>
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*> \param[in] JOBZ
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*> \verbatim
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*> JOBZ is CHARACTER*1
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*> = 'N': Compute eigenvalues only;
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*> = 'V': Compute eigenvalues and eigenvectors.
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*> \endverbatim
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*>
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*> \param[in] UPLO
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*> \verbatim
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*> UPLO is CHARACTER*1
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*> = 'U': Upper triangles of A and B are stored;
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*> = 'L': Lower triangles of A and B are stored.
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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 order of the matrices A and B. N >= 0.
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*> \endverbatim
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*>
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*> \param[in,out] A
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*> \verbatim
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*> A is DOUBLE PRECISION array, dimension (LDA, N)
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*> On entry, the symmetric matrix A. If UPLO = 'U', the
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*> leading N-by-N upper triangular part of A contains the
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*> upper triangular part of the matrix A. If UPLO = 'L',
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*> the leading N-by-N lower triangular part of A contains
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*> the lower triangular part of the matrix A.
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*>
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*> On exit, if JOBZ = 'V', then if INFO = 0, A contains the
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*> matrix Z of eigenvectors. The eigenvectors are normalized
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*> as follows:
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*> if ITYPE = 1 or 2, Z**T*B*Z = I;
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*> if ITYPE = 3, Z**T*inv(B)*Z = I.
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*> If JOBZ = 'N', then on exit the upper triangle (if UPLO='U')
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*> or the lower triangle (if UPLO='L') of A, including the
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*> diagonal, is destroyed.
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*> \endverbatim
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*>
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*> \param[in] LDA
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*> \verbatim
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*> LDA is INTEGER
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*> The leading dimension of the array A. LDA >= max(1,N).
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*> \endverbatim
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*>
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*> \param[in,out] B
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*> \verbatim
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*> B is DOUBLE PRECISION array, dimension (LDB, N)
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*> On entry, the symmetric positive definite matrix B.
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*> If UPLO = 'U', the leading N-by-N upper triangular part of B
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*> contains the upper triangular part of the matrix B.
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*> If UPLO = 'L', the leading N-by-N lower triangular part of B
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*> contains the lower triangular part of the matrix B.
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*>
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*> On exit, if INFO <= N, the part of B containing the matrix is
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*> overwritten by the triangular factor U or L from the Cholesky
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*> factorization B = U**T*U or B = L*L**T.
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*> \endverbatim
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*>
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*> \param[in] LDB
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*> \verbatim
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*> LDB is INTEGER
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*> The leading dimension of the array B. LDB >= max(1,N).
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*> \endverbatim
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*>
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*> \param[out] W
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*> \verbatim
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*> W is DOUBLE PRECISION array, dimension (N)
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*> If INFO = 0, the eigenvalues in ascending order.
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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 length of the array WORK. LWORK >= max(1,3*N-1).
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*> For optimal efficiency, LWORK >= (NB+2)*N,
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*> where NB is the blocksize for DSYTRD returned by ILAENV.
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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] 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: DPOTRF or DSYEV returned an error code:
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*> <= N: if INFO = i, DSYEV failed to converge;
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*> i off-diagonal elements of an intermediate
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*> tridiagonal form did not converge to zero;
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*> > N: if INFO = N + i, for 1 <= i <= N, then the leading
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*> minor of order i of B is not positive definite.
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*> The factorization of B could not be completed and
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*> no eigenvalues or eigenvectors were computed.
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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 December 2016
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*
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*> \ingroup doubleSYeigen
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*
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* =====================================================================
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SUBROUTINE DSYGV( ITYPE, JOBZ, UPLO, N, A, LDA, B, LDB, W, WORK,
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$ LWORK, INFO )
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*
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* -- LAPACK driver routine (version 3.7.0) --
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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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* December 2016
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*
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* .. Scalar Arguments ..
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CHARACTER JOBZ, UPLO
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INTEGER INFO, ITYPE, LDA, LDB, LWORK, N
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* ..
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* .. Array Arguments ..
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DOUBLE PRECISION A( LDA, * ), B( LDB, * ), W( * ), WORK( * )
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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 ONE
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PARAMETER ( ONE = 1.0D+0 )
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* ..
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* .. Local Scalars ..
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LOGICAL LQUERY, UPPER, WANTZ
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CHARACTER TRANS
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INTEGER LWKMIN, LWKOPT, NB, NEIG
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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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EXTERNAL LSAME, ILAENV
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* ..
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* .. External Subroutines ..
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EXTERNAL DPOTRF, DSYEV, DSYGST, DTRMM, DTRSM, XERBLA
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* ..
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* .. Intrinsic Functions ..
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INTRINSIC MAX
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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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WANTZ = LSAME( JOBZ, 'V' )
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UPPER = LSAME( UPLO, 'U' )
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LQUERY = ( LWORK.EQ.-1 )
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*
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INFO = 0
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IF( ITYPE.LT.1 .OR. ITYPE.GT.3 ) THEN
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INFO = -1
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ELSE IF( .NOT.( WANTZ .OR. LSAME( JOBZ, 'N' ) ) ) THEN
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INFO = -2
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ELSE IF( .NOT.( UPPER .OR. LSAME( UPLO, 'L' ) ) ) THEN
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INFO = -3
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ELSE IF( N.LT.0 ) THEN
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INFO = -4
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ELSE IF( LDA.LT.MAX( 1, N ) ) THEN
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INFO = -6
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ELSE IF( LDB.LT.MAX( 1, N ) ) THEN
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INFO = -8
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END IF
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*
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IF( INFO.EQ.0 ) THEN
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LWKMIN = MAX( 1, 3*N - 1 )
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NB = ILAENV( 1, 'DSYTRD', UPLO, N, -1, -1, -1 )
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LWKOPT = MAX( LWKMIN, ( NB + 2 )*N )
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WORK( 1 ) = LWKOPT
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*
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IF( LWORK.LT.LWKMIN .AND. .NOT.LQUERY ) THEN
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INFO = -11
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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( 'DSYGV ', -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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*
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* Form a Cholesky factorization of B.
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*
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CALL DPOTRF( UPLO, N, B, LDB, INFO )
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IF( INFO.NE.0 ) THEN
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INFO = N + INFO
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RETURN
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END IF
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*
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* Transform problem to standard eigenvalue problem and solve.
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*
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CALL DSYGST( ITYPE, UPLO, N, A, LDA, B, LDB, INFO )
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CALL DSYEV( JOBZ, UPLO, N, A, LDA, W, WORK, LWORK, INFO )
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*
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IF( WANTZ ) THEN
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*
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* Backtransform eigenvectors to the original problem.
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*
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NEIG = N
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IF( INFO.GT.0 )
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$ NEIG = INFO - 1
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IF( ITYPE.EQ.1 .OR. ITYPE.EQ.2 ) THEN
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*
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* For A*x=(lambda)*B*x and A*B*x=(lambda)*x;
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* backtransform eigenvectors: x = inv(L)**T*y or inv(U)*y
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*
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IF( UPPER ) THEN
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TRANS = 'N'
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ELSE
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TRANS = 'T'
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END IF
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*
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CALL DTRSM( 'Left', UPLO, TRANS, 'Non-unit', N, NEIG, ONE,
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$ B, LDB, A, LDA )
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*
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ELSE IF( ITYPE.EQ.3 ) THEN
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*
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* For B*A*x=(lambda)*x;
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* backtransform eigenvectors: x = L*y or U**T*y
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*
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IF( UPPER ) THEN
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TRANS = 'T'
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ELSE
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TRANS = 'N'
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END IF
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*
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CALL DTRMM( 'Left', UPLO, TRANS, 'Non-unit', N, NEIG, ONE,
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$ B, LDB, A, LDA )
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END IF
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END IF
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*
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WORK( 1 ) = LWKOPT
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RETURN
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*
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* End of DSYGV
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*
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END
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