forked from lijiext/lammps
583 lines
17 KiB
Fortran
583 lines
17 KiB
Fortran
*> \brief \b DLASQ2 computes all the eigenvalues of the symmetric positive definite tridiagonal matrix associated with the qd Array Z to high relative accuracy. Used by sbdsqr and sstegr.
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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 DLASQ2 + dependencies
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*> <a href="http://www.netlib.org/cgi-bin/netlibfiles.tgz?format=tgz&filename=/lapack/lapack_routine/dlasq2.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/dlasq2.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/dlasq2.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 DLASQ2( N, Z, INFO )
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*
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* .. Scalar Arguments ..
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* INTEGER INFO, N
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* ..
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* .. Array Arguments ..
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* DOUBLE PRECISION Z( * )
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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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*> DLASQ2 computes all the eigenvalues of the symmetric positive
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*> definite tridiagonal matrix associated with the qd array Z to high
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*> relative accuracy are computed to high relative accuracy, in the
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*> absence of denormalization, underflow and overflow.
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*>
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*> To see the relation of Z to the tridiagonal matrix, let L be a
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*> unit lower bidiagonal matrix with subdiagonals Z(2,4,6,,..) and
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*> let U be an upper bidiagonal matrix with 1's above and diagonal
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*> Z(1,3,5,,..). The tridiagonal is L*U or, if you prefer, the
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*> symmetric tridiagonal to which it is similar.
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*>
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*> Note : DLASQ2 defines a logical variable, IEEE, which is true
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*> on machines which follow ieee-754 floating-point standard in their
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*> handling of infinities and NaNs, and false otherwise. This variable
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*> is passed to DLASQ3.
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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] N
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*> \verbatim
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*> N is INTEGER
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*> The number of rows and columns in the matrix. N >= 0.
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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 ( 4*N )
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*> On entry Z holds the qd array. On exit, entries 1 to N hold
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*> the eigenvalues in decreasing order, Z( 2*N+1 ) holds the
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*> trace, and Z( 2*N+2 ) holds the sum of the eigenvalues. If
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*> N > 2, then Z( 2*N+3 ) holds the iteration count, Z( 2*N+4 )
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*> holds NDIVS/NIN^2, and Z( 2*N+5 ) holds the percentage of
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*> shifts that failed.
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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 the i-th argument is a scalar and had an illegal
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*> value, then INFO = -i, if the i-th argument is an
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*> array and the j-entry had an illegal value, then
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*> INFO = -(i*100+j)
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*> > 0: the algorithm failed
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*> = 1, a split was marked by a positive value in E
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*> = 2, current block of Z not diagonalized after 100*N
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*> iterations (in inner while loop). On exit Z holds
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*> a qd array with the same eigenvalues as the given Z.
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*> = 3, termination criterion of outer while loop not met
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*> (program created more than N unreduced blocks)
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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 September 2012
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*
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*> \ingroup auxOTHERcomputational
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*
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*> \par Further Details:
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* =====================
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*>
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*> \verbatim
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*>
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*> Local Variables: I0:N0 defines a current unreduced segment of Z.
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*> The shifts are accumulated in SIGMA. Iteration count is in ITER.
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*> Ping-pong is controlled by PP (alternates between 0 and 1).
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*> \endverbatim
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*>
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* =====================================================================
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SUBROUTINE DLASQ2( N, Z, INFO )
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*
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* -- LAPACK computational routine (version 3.4.2) --
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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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* September 2012
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*
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* .. Scalar Arguments ..
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INTEGER INFO, N
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* ..
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* .. Array Arguments ..
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DOUBLE PRECISION Z( * )
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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 CBIAS
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PARAMETER ( CBIAS = 1.50D0 )
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DOUBLE PRECISION ZERO, HALF, ONE, TWO, FOUR, HUNDRD
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PARAMETER ( ZERO = 0.0D0, HALF = 0.5D0, ONE = 1.0D0,
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$ TWO = 2.0D0, FOUR = 4.0D0, HUNDRD = 100.0D0 )
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* ..
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* .. Local Scalars ..
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LOGICAL IEEE
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INTEGER I0, I1, I4, IINFO, IPN4, ITER, IWHILA, IWHILB,
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$ K, KMIN, N0, N1, NBIG, NDIV, NFAIL, PP, SPLT,
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$ TTYPE
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DOUBLE PRECISION D, DEE, DEEMIN, DESIG, DMIN, DMIN1, DMIN2, DN,
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$ DN1, DN2, E, EMAX, EMIN, EPS, G, OLDEMN, QMAX,
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$ QMIN, S, SAFMIN, SIGMA, T, TAU, TEMP, TOL,
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$ TOL2, TRACE, ZMAX, TEMPE, TEMPQ
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* ..
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* .. External Subroutines ..
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EXTERNAL DLASQ3, DLASRT, XERBLA
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* ..
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* .. External Functions ..
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INTEGER ILAENV
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DOUBLE PRECISION DLAMCH
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EXTERNAL DLAMCH, ILAENV
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* ..
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* .. Intrinsic Functions ..
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INTRINSIC ABS, DBLE, MAX, MIN, SQRT
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* ..
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* .. Executable Statements ..
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*
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* Test the input arguments.
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* (in case DLASQ2 is not called by DLASQ1)
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*
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INFO = 0
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EPS = DLAMCH( 'Precision' )
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SAFMIN = DLAMCH( 'Safe minimum' )
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TOL = EPS*HUNDRD
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TOL2 = TOL**2
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*
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IF( N.LT.0 ) THEN
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INFO = -1
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CALL XERBLA( 'DLASQ2', 1 )
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RETURN
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ELSE IF( N.EQ.0 ) THEN
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RETURN
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ELSE IF( N.EQ.1 ) THEN
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*
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* 1-by-1 case.
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*
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IF( Z( 1 ).LT.ZERO ) THEN
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INFO = -201
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CALL XERBLA( 'DLASQ2', 2 )
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END IF
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RETURN
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ELSE IF( N.EQ.2 ) THEN
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*
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* 2-by-2 case.
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*
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IF( Z( 2 ).LT.ZERO .OR. Z( 3 ).LT.ZERO ) THEN
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INFO = -2
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CALL XERBLA( 'DLASQ2', 2 )
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RETURN
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ELSE IF( Z( 3 ).GT.Z( 1 ) ) THEN
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D = Z( 3 )
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Z( 3 ) = Z( 1 )
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Z( 1 ) = D
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END IF
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Z( 5 ) = Z( 1 ) + Z( 2 ) + Z( 3 )
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IF( Z( 2 ).GT.Z( 3 )*TOL2 ) THEN
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T = HALF*( ( Z( 1 )-Z( 3 ) )+Z( 2 ) )
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S = Z( 3 )*( Z( 2 ) / T )
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IF( S.LE.T ) THEN
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S = Z( 3 )*( Z( 2 ) / ( T*( ONE+SQRT( ONE+S / T ) ) ) )
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ELSE
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S = Z( 3 )*( Z( 2 ) / ( T+SQRT( T )*SQRT( T+S ) ) )
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END IF
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T = Z( 1 ) + ( S+Z( 2 ) )
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Z( 3 ) = Z( 3 )*( Z( 1 ) / T )
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Z( 1 ) = T
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END IF
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Z( 2 ) = Z( 3 )
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Z( 6 ) = Z( 2 ) + Z( 1 )
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RETURN
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END IF
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*
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* Check for negative data and compute sums of q's and e's.
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*
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Z( 2*N ) = ZERO
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EMIN = Z( 2 )
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QMAX = ZERO
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ZMAX = ZERO
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D = ZERO
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E = ZERO
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*
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DO 10 K = 1, 2*( N-1 ), 2
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IF( Z( K ).LT.ZERO ) THEN
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INFO = -( 200+K )
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CALL XERBLA( 'DLASQ2', 2 )
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RETURN
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ELSE IF( Z( K+1 ).LT.ZERO ) THEN
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INFO = -( 200+K+1 )
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CALL XERBLA( 'DLASQ2', 2 )
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RETURN
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END IF
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D = D + Z( K )
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E = E + Z( K+1 )
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QMAX = MAX( QMAX, Z( K ) )
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EMIN = MIN( EMIN, Z( K+1 ) )
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ZMAX = MAX( QMAX, ZMAX, Z( K+1 ) )
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10 CONTINUE
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IF( Z( 2*N-1 ).LT.ZERO ) THEN
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INFO = -( 200+2*N-1 )
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CALL XERBLA( 'DLASQ2', 2 )
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RETURN
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END IF
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D = D + Z( 2*N-1 )
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QMAX = MAX( QMAX, Z( 2*N-1 ) )
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ZMAX = MAX( QMAX, ZMAX )
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*
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* Check for diagonality.
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*
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IF( E.EQ.ZERO ) THEN
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DO 20 K = 2, N
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Z( K ) = Z( 2*K-1 )
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20 CONTINUE
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CALL DLASRT( 'D', N, Z, IINFO )
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Z( 2*N-1 ) = D
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RETURN
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END IF
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*
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TRACE = D + E
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*
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* Check for zero data.
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*
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IF( TRACE.EQ.ZERO ) THEN
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Z( 2*N-1 ) = ZERO
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RETURN
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END IF
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*
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* Check whether the machine is IEEE conformable.
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*
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IEEE = ILAENV( 10, 'DLASQ2', 'N', 1, 2, 3, 4 ).EQ.1 .AND.
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$ ILAENV( 11, 'DLASQ2', 'N', 1, 2, 3, 4 ).EQ.1
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*
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* Rearrange data for locality: Z=(q1,qq1,e1,ee1,q2,qq2,e2,ee2,...).
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*
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DO 30 K = 2*N, 2, -2
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Z( 2*K ) = ZERO
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Z( 2*K-1 ) = Z( K )
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Z( 2*K-2 ) = ZERO
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Z( 2*K-3 ) = Z( K-1 )
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30 CONTINUE
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*
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I0 = 1
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N0 = N
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*
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* Reverse the qd-array, if warranted.
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*
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IF( CBIAS*Z( 4*I0-3 ).LT.Z( 4*N0-3 ) ) THEN
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IPN4 = 4*( I0+N0 )
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DO 40 I4 = 4*I0, 2*( I0+N0-1 ), 4
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TEMP = Z( I4-3 )
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Z( I4-3 ) = Z( IPN4-I4-3 )
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Z( IPN4-I4-3 ) = TEMP
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TEMP = Z( I4-1 )
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Z( I4-1 ) = Z( IPN4-I4-5 )
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Z( IPN4-I4-5 ) = TEMP
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40 CONTINUE
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END IF
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*
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* Initial split checking via dqd and Li's test.
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*
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PP = 0
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*
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DO 80 K = 1, 2
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*
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D = Z( 4*N0+PP-3 )
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DO 50 I4 = 4*( N0-1 ) + PP, 4*I0 + PP, -4
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IF( Z( I4-1 ).LE.TOL2*D ) THEN
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Z( I4-1 ) = -ZERO
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D = Z( I4-3 )
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ELSE
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D = Z( I4-3 )*( D / ( D+Z( I4-1 ) ) )
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END IF
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50 CONTINUE
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*
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* dqd maps Z to ZZ plus Li's test.
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*
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EMIN = Z( 4*I0+PP+1 )
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D = Z( 4*I0+PP-3 )
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DO 60 I4 = 4*I0 + PP, 4*( N0-1 ) + PP, 4
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Z( I4-2*PP-2 ) = D + Z( I4-1 )
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IF( Z( I4-1 ).LE.TOL2*D ) THEN
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Z( I4-1 ) = -ZERO
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Z( I4-2*PP-2 ) = D
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Z( I4-2*PP ) = ZERO
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D = Z( I4+1 )
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ELSE IF( SAFMIN*Z( I4+1 ).LT.Z( I4-2*PP-2 ) .AND.
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$ SAFMIN*Z( I4-2*PP-2 ).LT.Z( I4+1 ) ) THEN
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TEMP = Z( I4+1 ) / Z( I4-2*PP-2 )
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Z( I4-2*PP ) = Z( I4-1 )*TEMP
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D = D*TEMP
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ELSE
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Z( I4-2*PP ) = Z( I4+1 )*( Z( I4-1 ) / Z( I4-2*PP-2 ) )
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D = Z( I4+1 )*( D / Z( I4-2*PP-2 ) )
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END IF
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EMIN = MIN( EMIN, Z( I4-2*PP ) )
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60 CONTINUE
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Z( 4*N0-PP-2 ) = D
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*
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* Now find qmax.
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*
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QMAX = Z( 4*I0-PP-2 )
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DO 70 I4 = 4*I0 - PP + 2, 4*N0 - PP - 2, 4
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QMAX = MAX( QMAX, Z( I4 ) )
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70 CONTINUE
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*
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* Prepare for the next iteration on K.
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*
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PP = 1 - PP
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80 CONTINUE
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*
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* Initialise variables to pass to DLASQ3.
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*
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TTYPE = 0
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DMIN1 = ZERO
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DMIN2 = ZERO
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DN = ZERO
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DN1 = ZERO
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DN2 = ZERO
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G = ZERO
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TAU = ZERO
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*
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ITER = 2
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NFAIL = 0
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NDIV = 2*( N0-I0 )
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*
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DO 160 IWHILA = 1, N + 1
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IF( N0.LT.1 )
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$ GO TO 170
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*
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* While array unfinished do
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*
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* E(N0) holds the value of SIGMA when submatrix in I0:N0
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* splits from the rest of the array, but is negated.
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*
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DESIG = ZERO
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IF( N0.EQ.N ) THEN
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SIGMA = ZERO
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ELSE
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SIGMA = -Z( 4*N0-1 )
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END IF
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IF( SIGMA.LT.ZERO ) THEN
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INFO = 1
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RETURN
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END IF
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*
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* Find last unreduced submatrix's top index I0, find QMAX and
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* EMIN. Find Gershgorin-type bound if Q's much greater than E's.
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*
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EMAX = ZERO
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IF( N0.GT.I0 ) THEN
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EMIN = ABS( Z( 4*N0-5 ) )
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ELSE
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EMIN = ZERO
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END IF
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QMIN = Z( 4*N0-3 )
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QMAX = QMIN
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DO 90 I4 = 4*N0, 8, -4
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IF( Z( I4-5 ).LE.ZERO )
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$ GO TO 100
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IF( QMIN.GE.FOUR*EMAX ) THEN
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QMIN = MIN( QMIN, Z( I4-3 ) )
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EMAX = MAX( EMAX, Z( I4-5 ) )
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END IF
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QMAX = MAX( QMAX, Z( I4-7 )+Z( I4-5 ) )
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EMIN = MIN( EMIN, Z( I4-5 ) )
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90 CONTINUE
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I4 = 4
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*
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100 CONTINUE
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I0 = I4 / 4
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PP = 0
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*
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IF( N0-I0.GT.1 ) THEN
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DEE = Z( 4*I0-3 )
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DEEMIN = DEE
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KMIN = I0
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DO 110 I4 = 4*I0+1, 4*N0-3, 4
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DEE = Z( I4 )*( DEE /( DEE+Z( I4-2 ) ) )
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IF( DEE.LE.DEEMIN ) THEN
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DEEMIN = DEE
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KMIN = ( I4+3 )/4
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END IF
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110 CONTINUE
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IF( (KMIN-I0)*2.LT.N0-KMIN .AND.
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$ DEEMIN.LE.HALF*Z(4*N0-3) ) THEN
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IPN4 = 4*( I0+N0 )
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PP = 2
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DO 120 I4 = 4*I0, 2*( I0+N0-1 ), 4
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TEMP = Z( I4-3 )
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Z( I4-3 ) = Z( IPN4-I4-3 )
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Z( IPN4-I4-3 ) = TEMP
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TEMP = Z( I4-2 )
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Z( I4-2 ) = Z( IPN4-I4-2 )
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Z( IPN4-I4-2 ) = TEMP
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TEMP = Z( I4-1 )
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Z( I4-1 ) = Z( IPN4-I4-5 )
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Z( IPN4-I4-5 ) = TEMP
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TEMP = Z( I4 )
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Z( I4 ) = Z( IPN4-I4-4 )
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Z( IPN4-I4-4 ) = TEMP
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120 CONTINUE
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END IF
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END IF
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*
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* Put -(initial shift) into DMIN.
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*
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DMIN = -MAX( ZERO, QMIN-TWO*SQRT( QMIN )*SQRT( EMAX ) )
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*
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* Now I0:N0 is unreduced.
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* PP = 0 for ping, PP = 1 for pong.
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* PP = 2 indicates that flipping was applied to the Z array and
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* and that the tests for deflation upon entry in DLASQ3
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* should not be performed.
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*
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NBIG = 100*( N0-I0+1 )
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DO 140 IWHILB = 1, NBIG
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IF( I0.GT.N0 )
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$ GO TO 150
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*
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* While submatrix unfinished take a good dqds step.
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*
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CALL DLASQ3( I0, N0, Z, PP, DMIN, SIGMA, DESIG, QMAX, NFAIL,
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$ ITER, NDIV, IEEE, TTYPE, DMIN1, DMIN2, DN, DN1,
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$ DN2, G, TAU )
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*
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PP = 1 - PP
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*
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* When EMIN is very small check for splits.
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*
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IF( PP.EQ.0 .AND. N0-I0.GE.3 ) THEN
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IF( Z( 4*N0 ).LE.TOL2*QMAX .OR.
|
|
$ Z( 4*N0-1 ).LE.TOL2*SIGMA ) THEN
|
|
SPLT = I0 - 1
|
|
QMAX = Z( 4*I0-3 )
|
|
EMIN = Z( 4*I0-1 )
|
|
OLDEMN = Z( 4*I0 )
|
|
DO 130 I4 = 4*I0, 4*( N0-3 ), 4
|
|
IF( Z( I4 ).LE.TOL2*Z( I4-3 ) .OR.
|
|
$ Z( I4-1 ).LE.TOL2*SIGMA ) THEN
|
|
Z( I4-1 ) = -SIGMA
|
|
SPLT = I4 / 4
|
|
QMAX = ZERO
|
|
EMIN = Z( I4+3 )
|
|
OLDEMN = Z( I4+4 )
|
|
ELSE
|
|
QMAX = MAX( QMAX, Z( I4+1 ) )
|
|
EMIN = MIN( EMIN, Z( I4-1 ) )
|
|
OLDEMN = MIN( OLDEMN, Z( I4 ) )
|
|
END IF
|
|
130 CONTINUE
|
|
Z( 4*N0-1 ) = EMIN
|
|
Z( 4*N0 ) = OLDEMN
|
|
I0 = SPLT + 1
|
|
END IF
|
|
END IF
|
|
*
|
|
140 CONTINUE
|
|
*
|
|
INFO = 2
|
|
*
|
|
* Maximum number of iterations exceeded, restore the shift
|
|
* SIGMA and place the new d's and e's in a qd array.
|
|
* This might need to be done for several blocks
|
|
*
|
|
I1 = I0
|
|
N1 = N0
|
|
145 CONTINUE
|
|
TEMPQ = Z( 4*I0-3 )
|
|
Z( 4*I0-3 ) = Z( 4*I0-3 ) + SIGMA
|
|
DO K = I0+1, N0
|
|
TEMPE = Z( 4*K-5 )
|
|
Z( 4*K-5 ) = Z( 4*K-5 ) * (TEMPQ / Z( 4*K-7 ))
|
|
TEMPQ = Z( 4*K-3 )
|
|
Z( 4*K-3 ) = Z( 4*K-3 ) + SIGMA + TEMPE - Z( 4*K-5 )
|
|
END DO
|
|
*
|
|
* Prepare to do this on the previous block if there is one
|
|
*
|
|
IF( I1.GT.1 ) THEN
|
|
N1 = I1-1
|
|
DO WHILE( ( I1.GE.2 ) .AND. ( Z(4*I1-5).GE.ZERO ) )
|
|
I1 = I1 - 1
|
|
END DO
|
|
SIGMA = -Z(4*N1-1)
|
|
GO TO 145
|
|
END IF
|
|
|
|
DO K = 1, N
|
|
Z( 2*K-1 ) = Z( 4*K-3 )
|
|
*
|
|
* Only the block 1..N0 is unfinished. The rest of the e's
|
|
* must be essentially zero, although sometimes other data
|
|
* has been stored in them.
|
|
*
|
|
IF( K.LT.N0 ) THEN
|
|
Z( 2*K ) = Z( 4*K-1 )
|
|
ELSE
|
|
Z( 2*K ) = 0
|
|
END IF
|
|
END DO
|
|
RETURN
|
|
*
|
|
* end IWHILB
|
|
*
|
|
150 CONTINUE
|
|
*
|
|
160 CONTINUE
|
|
*
|
|
INFO = 3
|
|
RETURN
|
|
*
|
|
* end IWHILA
|
|
*
|
|
170 CONTINUE
|
|
*
|
|
* Move q's to the front.
|
|
*
|
|
DO 180 K = 2, N
|
|
Z( K ) = Z( 4*K-3 )
|
|
180 CONTINUE
|
|
*
|
|
* Sort and compute sum of eigenvalues.
|
|
*
|
|
CALL DLASRT( 'D', N, Z, IINFO )
|
|
*
|
|
E = ZERO
|
|
DO 190 K = N, 1, -1
|
|
E = E + Z( K )
|
|
190 CONTINUE
|
|
*
|
|
* Store trace, sum(eigenvalues) and information on performance.
|
|
*
|
|
Z( 2*N+1 ) = TRACE
|
|
Z( 2*N+2 ) = E
|
|
Z( 2*N+3 ) = DBLE( ITER )
|
|
Z( 2*N+4 ) = DBLE( NDIV ) / DBLE( N**2 )
|
|
Z( 2*N+5 ) = HUNDRD*NFAIL / DBLE( ITER )
|
|
RETURN
|
|
*
|
|
* End of DLASQ2
|
|
*
|
|
END
|