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lammps/lib/linalg/dsterf.cpp
Axel Kohlmeyer 1e8b2ad5a0 whitespace fixes
2022-12-28 13:48:43 -05:00

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/* fortran/dsterf.f -- translated by f2c (version 20200916).
You must link the resulting object file with libf2c:
on Microsoft Windows system, link with libf2c.lib;
on Linux or Unix systems, link with .../path/to/libf2c.a -lm
or, if you install libf2c.a in a standard place, with -lf2c -lm
-- in that order, at the end of the command line, as in
cc *.o -lf2c -lm
Source for libf2c is in /netlib/f2c/libf2c.zip, e.g.,
http://www.netlib.org/f2c/libf2c.zip
*/
#ifdef __cplusplus
extern "C" {
#endif
#include "lmp_f2c.h"
/* Table of constant values */
static integer c__0 = 0;
static integer c__1 = 1;
static doublereal c_b33 = 1.;
/* > \brief \b DSTERF */
/* =========== DOCUMENTATION =========== */
/* Online html documentation available at */
/* http://www.netlib.org/lapack/explore-html/ */
/* > \htmlonly */
/* > Download DSTERF + dependencies */
/* > <a href="http://www.netlib.org/cgi-bin/netlibfiles.tgz?format=tgz&filename=/lapack/lapack_routine/dsterf.
f"> */
/* > [TGZ]</a> */
/* > <a href="http://www.netlib.org/cgi-bin/netlibfiles.zip?format=zip&filename=/lapack/lapack_routine/dsterf.
f"> */
/* > [ZIP]</a> */
/* > <a href="http://www.netlib.org/cgi-bin/netlibfiles.txt?format=txt&filename=/lapack/lapack_routine/dsterf.
f"> */
/* > [TXT]</a> */
/* > \endhtmlonly */
/* Definition: */
/* =========== */
/* SUBROUTINE DSTERF( N, D, E, INFO ) */
/* .. Scalar Arguments .. */
/* INTEGER INFO, N */
/* .. */
/* .. Array Arguments .. */
/* DOUBLE PRECISION D( * ), E( * ) */
/* .. */
/* > \par Purpose: */
/* ============= */
/* > */
/* > \verbatim */
/* > */
/* > DSTERF computes all eigenvalues of a symmetric tridiagonal matrix */
/* > using the Pal-Walker-Kahan variant of the QL or QR algorithm. */
/* > \endverbatim */
/* Arguments: */
/* ========== */
/* > \param[in] N */
/* > \verbatim */
/* > N is INTEGER */
/* > The order of the matrix. N >= 0. */
/* > \endverbatim */
/* > */
/* > \param[in,out] D */
/* > \verbatim */
/* > D is DOUBLE PRECISION array, dimension (N) */
/* > On entry, the n diagonal elements of the tridiagonal matrix. */
/* > On exit, if INFO = 0, the eigenvalues in ascending order. */
/* > \endverbatim */
/* > */
/* > \param[in,out] E */
/* > \verbatim */
/* > E is DOUBLE PRECISION array, dimension (N-1) */
/* > On entry, the (n-1) subdiagonal elements of the tridiagonal */
/* > matrix. */
/* > On exit, E has been destroyed. */
/* > \endverbatim */
/* > */
/* > \param[out] INFO */
/* > \verbatim */
/* > INFO is INTEGER */
/* > = 0: successful exit */
/* > < 0: if INFO = -i, the i-th argument had an illegal value */
/* > > 0: the algorithm failed to find all of the eigenvalues in */
/* > a total of 30*N iterations; if INFO = i, then i */
/* > elements of E have not converged to zero. */
/* > \endverbatim */
/* Authors: */
/* ======== */
/* > \author Univ. of Tennessee */
/* > \author Univ. of California Berkeley */
/* > \author Univ. of Colorado Denver */
/* > \author NAG Ltd. */
/* > \ingroup auxOTHERcomputational */
/* ===================================================================== */
/* Subroutine */ int dsterf_(integer *n, doublereal *d__, doublereal *e,
integer *info)
{
/* System generated locals */
integer i__1;
doublereal d__1, d__2, d__3;
/* Builtin functions */
double sqrt(doublereal), d_sign(doublereal *, doublereal *);
/* Local variables */
doublereal c__;
integer i__, l, m;
doublereal p, r__, s;
integer l1;
doublereal bb, rt1, rt2, eps, rte;
integer lsv;
doublereal eps2, oldc;
integer lend;
doublereal rmax;
integer jtot;
extern /* Subroutine */ int dlae2_(doublereal *, doublereal *, doublereal
*, doublereal *, doublereal *);
doublereal gamma, alpha, sigma, anorm;
extern doublereal dlapy2_(doublereal *, doublereal *), dlamch_(char *,
ftnlen);
integer iscale;
extern /* Subroutine */ int dlascl_(char *, integer *, integer *,
doublereal *, doublereal *, integer *, integer *, doublereal *,
integer *, integer *, ftnlen);
doublereal oldgam, safmin;
extern /* Subroutine */ int xerbla_(char *, integer *, ftnlen);
doublereal safmax;
extern doublereal dlanst_(char *, integer *, doublereal *, doublereal *,
ftnlen);
extern /* Subroutine */ int dlasrt_(char *, integer *, doublereal *,
integer *, ftnlen);
integer lendsv;
doublereal ssfmin;
integer nmaxit;
doublereal ssfmax;
/* -- LAPACK computational routine -- */
/* -- LAPACK is a software package provided by Univ. of Tennessee, -- */
/* -- Univ. of California Berkeley, Univ. of Colorado Denver and NAG Ltd..-- */
/* .. Scalar Arguments .. */
/* .. */
/* .. Array Arguments .. */
/* .. */
/* ===================================================================== */
/* .. Parameters .. */
/* .. */
/* .. Local Scalars .. */
/* .. */
/* .. External Functions .. */
/* .. */
/* .. External Subroutines .. */
/* .. */
/* .. Intrinsic Functions .. */
/* .. */
/* .. Executable Statements .. */
/* Test the input parameters. */
/* Parameter adjustments */
--e;
--d__;
/* Function Body */
*info = 0;
/* Quick return if possible */
if (*n < 0) {
*info = -1;
i__1 = -(*info);
xerbla_((char *)"DSTERF", &i__1, (ftnlen)6);
return 0;
}
if (*n <= 1) {
return 0;
}
/* Determine the unit roundoff for this environment. */
eps = dlamch_((char *)"E", (ftnlen)1);
/* Computing 2nd power */
d__1 = eps;
eps2 = d__1 * d__1;
safmin = dlamch_((char *)"S", (ftnlen)1);
safmax = 1. / safmin;
ssfmax = sqrt(safmax) / 3.;
ssfmin = sqrt(safmin) / eps2;
rmax = dlamch_((char *)"O", (ftnlen)1);
/* Compute the eigenvalues of the tridiagonal matrix. */
nmaxit = *n * 30;
sigma = 0.;
jtot = 0;
/* Determine where the matrix splits and choose QL or QR iteration */
/* for each block, according to whether top or bottom diagonal */
/* element is smaller. */
l1 = 1;
L10:
if (l1 > *n) {
goto L170;
}
if (l1 > 1) {
e[l1 - 1] = 0.;
}
i__1 = *n - 1;
for (m = l1; m <= i__1; ++m) {
if ((d__3 = e[m], abs(d__3)) <= sqrt((d__1 = d__[m], abs(d__1))) *
sqrt((d__2 = d__[m + 1], abs(d__2))) * eps) {
e[m] = 0.;
goto L30;
}
/* L20: */
}
m = *n;
L30:
l = l1;
lsv = l;
lend = m;
lendsv = lend;
l1 = m + 1;
if (lend == l) {
goto L10;
}
/* Scale submatrix in rows and columns L to LEND */
i__1 = lend - l + 1;
anorm = dlanst_((char *)"M", &i__1, &d__[l], &e[l], (ftnlen)1);
iscale = 0;
if (anorm == 0.) {
goto L10;
}
if (anorm > ssfmax) {
iscale = 1;
i__1 = lend - l + 1;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmax, &i__1, &c__1, &d__[l], n,
info, (ftnlen)1);
i__1 = lend - l;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmax, &i__1, &c__1, &e[l], n,
info, (ftnlen)1);
} else if (anorm < ssfmin) {
iscale = 2;
i__1 = lend - l + 1;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmin, &i__1, &c__1, &d__[l], n,
info, (ftnlen)1);
i__1 = lend - l;
dlascl_((char *)"G", &c__0, &c__0, &anorm, &ssfmin, &i__1, &c__1, &e[l], n,
info, (ftnlen)1);
}
i__1 = lend - 1;
for (i__ = l; i__ <= i__1; ++i__) {
/* Computing 2nd power */
d__1 = e[i__];
e[i__] = d__1 * d__1;
/* L40: */
}
/* Choose between QL and QR iteration */
if ((d__1 = d__[lend], abs(d__1)) < (d__2 = d__[l], abs(d__2))) {
lend = lsv;
l = lendsv;
}
if (lend >= l) {
/* QL Iteration */
/* Look for small subdiagonal element. */
L50:
if (l != lend) {
i__1 = lend - 1;
for (m = l; m <= i__1; ++m) {
if ((d__2 = e[m], abs(d__2)) <= eps2 * (d__1 = d__[m] * d__[m
+ 1], abs(d__1))) {
goto L70;
}
/* L60: */
}
}
m = lend;
L70:
if (m < lend) {
e[m] = 0.;
}
p = d__[l];
if (m == l) {
goto L90;
}
/* If remaining matrix is 2 by 2, use DLAE2 to compute its */
/* eigenvalues. */
if (m == l + 1) {
rte = sqrt(e[l]);
dlae2_(&d__[l], &rte, &d__[l + 1], &rt1, &rt2);
d__[l] = rt1;
d__[l + 1] = rt2;
e[l] = 0.;
l += 2;
if (l <= lend) {
goto L50;
}
goto L150;
}
if (jtot == nmaxit) {
goto L150;
}
++jtot;
/* Form shift. */
rte = sqrt(e[l]);
sigma = (d__[l + 1] - p) / (rte * 2.);
r__ = dlapy2_(&sigma, &c_b33);
sigma = p - rte / (sigma + d_sign(&r__, &sigma));
c__ = 1.;
s = 0.;
gamma = d__[m] - sigma;
p = gamma * gamma;
/* Inner loop */
i__1 = l;
for (i__ = m - 1; i__ >= i__1; --i__) {
bb = e[i__];
r__ = p + bb;
if (i__ != m - 1) {
e[i__ + 1] = s * r__;
}
oldc = c__;
c__ = p / r__;
s = bb / r__;
oldgam = gamma;
alpha = d__[i__];
gamma = c__ * (alpha - sigma) - s * oldgam;
d__[i__ + 1] = oldgam + (alpha - gamma);
if (c__ != 0.) {
p = gamma * gamma / c__;
} else {
p = oldc * bb;
}
/* L80: */
}
e[l] = s * p;
d__[l] = sigma + gamma;
goto L50;
/* Eigenvalue found. */
L90:
d__[l] = p;
++l;
if (l <= lend) {
goto L50;
}
goto L150;
} else {
/* QR Iteration */
/* Look for small superdiagonal element. */
L100:
i__1 = lend + 1;
for (m = l; m >= i__1; --m) {
if ((d__2 = e[m - 1], abs(d__2)) <= eps2 * (d__1 = d__[m] * d__[m
- 1], abs(d__1))) {
goto L120;
}
/* L110: */
}
m = lend;
L120:
if (m > lend) {
e[m - 1] = 0.;
}
p = d__[l];
if (m == l) {
goto L140;
}
/* If remaining matrix is 2 by 2, use DLAE2 to compute its */
/* eigenvalues. */
if (m == l - 1) {
rte = sqrt(e[l - 1]);
dlae2_(&d__[l], &rte, &d__[l - 1], &rt1, &rt2);
d__[l] = rt1;
d__[l - 1] = rt2;
e[l - 1] = 0.;
l += -2;
if (l >= lend) {
goto L100;
}
goto L150;
}
if (jtot == nmaxit) {
goto L150;
}
++jtot;
/* Form shift. */
rte = sqrt(e[l - 1]);
sigma = (d__[l - 1] - p) / (rte * 2.);
r__ = dlapy2_(&sigma, &c_b33);
sigma = p - rte / (sigma + d_sign(&r__, &sigma));
c__ = 1.;
s = 0.;
gamma = d__[m] - sigma;
p = gamma * gamma;
/* Inner loop */
i__1 = l - 1;
for (i__ = m; i__ <= i__1; ++i__) {
bb = e[i__];
r__ = p + bb;
if (i__ != m) {
e[i__ - 1] = s * r__;
}
oldc = c__;
c__ = p / r__;
s = bb / r__;
oldgam = gamma;
alpha = d__[i__ + 1];
gamma = c__ * (alpha - sigma) - s * oldgam;
d__[i__] = oldgam + (alpha - gamma);
if (c__ != 0.) {
p = gamma * gamma / c__;
} else {
p = oldc * bb;
}
/* L130: */
}
e[l - 1] = s * p;
d__[l] = sigma + gamma;
goto L100;
/* Eigenvalue found. */
L140:
d__[l] = p;
--l;
if (l >= lend) {
goto L100;
}
goto L150;
}
/* Undo scaling if necessary */
L150:
if (iscale == 1) {
i__1 = lendsv - lsv + 1;
dlascl_((char *)"G", &c__0, &c__0, &ssfmax, &anorm, &i__1, &c__1, &d__[lsv],
n, info, (ftnlen)1);
}
if (iscale == 2) {
i__1 = lendsv - lsv + 1;
dlascl_((char *)"G", &c__0, &c__0, &ssfmin, &anorm, &i__1, &c__1, &d__[lsv],
n, info, (ftnlen)1);
}
/* Check for no convergence to an eigenvalue after a total */
/* of N*MAXIT iterations. */
if (jtot < nmaxit) {
goto L10;
}
i__1 = *n - 1;
for (i__ = 1; i__ <= i__1; ++i__) {
if (e[i__] != 0.) {
++(*info);
}
/* L160: */
}
goto L180;
/* Sort eigenvalues in increasing order. */
L170:
dlasrt_((char *)"I", n, &d__[1], info, (ftnlen)1);
L180:
return 0;
/* End of DSTERF */
} /* dsterf_ */
#ifdef __cplusplus
}
#endif