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/* Ergo, version 3.8.2, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2023 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
* and Anastasia Kruchinina.
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*
* Primary academic reference:
* Ergo: An open-source program for linear-scaling electronic structure
* calculations,
* Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
* Kruchinina,
* SoftwareX 7, 107 (2018),
* <http://dx.doi.org/10.1016/j.softx.2018.03.005>
*
* For further information about Ergo, see <http://www.ergoscf.org>.
*/
/* This file belongs to the template_lapack part of the Ergo source
* code. The source files in the template_lapack directory are modified
* versions of files originally distributed as CLAPACK, see the
* Copyright/license notice in the file template_lapack/COPYING.
*/
#ifndef TEMPLATE_LAPACK_LAGTF_HEADER
#define TEMPLATE_LAPACK_LAGTF_HEADER
template<class Treal>
int template_lapack_lagtf(const integer *n, Treal *a, const Treal *lambda,
Treal *b, Treal *c__, const Treal *tol, Treal *d__,
integer *in, integer *info)
{
/* -- LAPACK routine (version 3.0) --
Univ. of Tennessee, Univ. of California Berkeley, NAG Ltd.,
Courant Institute, Argonne National Lab, and Rice University
June 30, 1999
Purpose
=======
DLAGTF factorizes the matrix (T - lambda*I), where T is an n by n
tridiagonal matrix and lambda is a scalar, as
T - lambda*I = PLU,
where P is a permutation matrix, L is a unit lower tridiagonal matrix
with at most one non-zero sub-diagonal elements per column and U is
an upper triangular matrix with at most two non-zero super-diagonal
elements per column.
The factorization is obtained by Gaussian elimination with partial
pivoting and implicit row scaling.
The parameter LAMBDA is included in the routine so that DLAGTF may
be used, in conjunction with DLAGTS, to obtain eigenvectors of T by
inverse iteration.
Arguments
=========
N (input) INTEGER
The order of the matrix T.
A (input/output) DOUBLE PRECISION array, dimension (N)
On entry, A must contain the diagonal elements of T.
On exit, A is overwritten by the n diagonal elements of the
upper triangular matrix U of the factorization of T.
LAMBDA (input) DOUBLE PRECISION
On entry, the scalar lambda.
B (input/output) DOUBLE PRECISION array, dimension (N-1)
On entry, B must contain the (n-1) super-diagonal elements of
T.
On exit, B is overwritten by the (n-1) super-diagonal
elements of the matrix U of the factorization of T.
C (input/output) DOUBLE PRECISION array, dimension (N-1)
On entry, C must contain the (n-1) sub-diagonal elements of
T.
On exit, C is overwritten by the (n-1) sub-diagonal elements
of the matrix L of the factorization of T.
TOL (input) DOUBLE PRECISION
On entry, a relative tolerance used to indicate whether or
not the matrix (T - lambda*I) is nearly singular. TOL should
normally be chose as approximately the largest relative error
in the elements of T. For example, if the elements of T are
correct to about 4 significant figures, then TOL should be
set to about 5*10**(-4). If TOL is supplied as less than eps,
where eps is the relative machine precision, then the value
eps is used in place of TOL.
D (output) DOUBLE PRECISION array, dimension (N-2)
On exit, D is overwritten by the (n-2) second super-diagonal
elements of the matrix U of the factorization of T.
IN (output) INTEGER array, dimension (N)
On exit, IN contains details of the permutation matrix P. If
an interchange occurred at the kth step of the elimination,
then IN(k) = 1, otherwise IN(k) = 0. The element IN(n)
returns the smallest positive integer j such that
abs( u(j,j) ).le. norm( (T - lambda*I)(j) )*TOL,
where norm( A(j) ) denotes the sum of the absolute values of
the jth row of the matrix A. If no such j exists then IN(n)
is returned as zero. If IN(n) is returned as positive, then a
diagonal element of U is small, indicating that
(T - lambda*I) is singular or nearly singular,
INFO (output) INTEGER
= 0 : successful exit
.lt. 0: if INFO = -k, the kth argument had an illegal value
=====================================================================
Parameter adjustments */
/* System generated locals */
integer i__1;
Treal d__1, d__2;
/* Local variables */
Treal temp, mult;
integer k;
Treal scale1, scale2;
Treal tl;
Treal eps, piv1, piv2;
--in;
--d__;
--c__;
--b;
--a;
/* Function Body */
*info = 0;
if (*n < 0) {
*info = -1;
i__1 = -(*info);
template_blas_erbla("LAGTF ", &i__1);
return 0;
}
if (*n == 0) {
return 0;
}
a[1] -= *lambda;
in[*n] = 0;
if (*n == 1) {
if (a[1] == 0.) {
in[1] = 1;
}
return 0;
}
eps = template_lapack_lamch("Epsilon", (Treal)0);
tl = maxMACRO(*tol,eps);
scale1 = absMACRO(a[1]) + absMACRO(b[1]);
i__1 = *n - 1;
for (k = 1; k <= i__1; ++k) {
a[k + 1] -= *lambda;
scale2 = (d__1 = c__[k], absMACRO(d__1)) + (d__2 = a[k + 1], absMACRO(d__2));
if (k < *n - 1) {
scale2 += (d__1 = b[k + 1], absMACRO(d__1));
}
if (a[k] == 0.) {
piv1 = 0.;
} else {
piv1 = (d__1 = a[k], absMACRO(d__1)) / scale1;
}
if (c__[k] == 0.) {
in[k] = 0;
piv2 = 0.;
scale1 = scale2;
if (k < *n - 1) {
d__[k] = 0.;
}
} else {
piv2 = (d__1 = c__[k], absMACRO(d__1)) / scale2;
if (piv2 <= piv1) {
in[k] = 0;
scale1 = scale2;
c__[k] /= a[k];
a[k + 1] -= c__[k] * b[k];
if (k < *n - 1) {
d__[k] = 0.;
}
} else {
in[k] = 1;
mult = a[k] / c__[k];
a[k] = c__[k];
temp = a[k + 1];
a[k + 1] = b[k] - mult * temp;
if (k < *n - 1) {
d__[k] = b[k + 1];
b[k + 1] = -mult * d__[k];
}
b[k] = temp;
c__[k] = mult;
}
}
if (maxMACRO(piv1,piv2) <= tl && in[*n] == 0) {
in[*n] = k;
}
/* L10: */
}
if ((d__1 = a[*n], absMACRO(d__1)) <= scale1 * tl && in[*n] == 0) {
in[*n] = *n;
}
return 0;
/* End of DLAGTF */
} /* dlagtf_ */
#endif
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