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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_LASQ6_HEADER
#define TEMPLATE_LAPACK_LASQ6_HEADER
template<class Treal>
int template_lapack_lasq6(integer *i0, integer *n0, Treal *z__,
integer *pp, Treal *dmin__, Treal *dmin1, Treal *dmin2,
Treal *dn, Treal *dnm1, Treal *dnm2)
{
/* System generated locals */
integer i__1;
Treal d__1, d__2;
/* Local variables */
Treal d__;
integer j4, j4p2;
Treal emin, temp;
Treal safmin;
/* -- LAPACK routine (version 3.2) -- */
/* -- Contributed by Osni Marques of the Lawrence Berkeley National -- */
/* -- Laboratory and Beresford Parlett of the Univ. of California at -- */
/* -- Berkeley -- */
/* -- November 2008 -- */
/* -- 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 .. */
/* .. */
/* Purpose */
/* ======= */
/* DLASQ6 computes one dqd (shift equal to zero) transform in */
/* ping-pong form, with protection against underflow and overflow. */
/* Arguments */
/* ========= */
/* I0 (input) INTEGER */
/* First index. */
/* N0 (input) INTEGER */
/* Last index. */
/* Z (input) DOUBLE PRECISION array, dimension ( 4*N ) */
/* Z holds the qd array. EMIN is stored in Z(4*N0) to avoid */
/* an extra argument. */
/* PP (input) INTEGER */
/* PP=0 for ping, PP=1 for pong. */
/* DMIN (output) DOUBLE PRECISION */
/* Minimum value of d. */
/* DMIN1 (output) DOUBLE PRECISION */
/* Minimum value of d, excluding D( N0 ). */
/* DMIN2 (output) DOUBLE PRECISION */
/* Minimum value of d, excluding D( N0 ) and D( N0-1 ). */
/* DN (output) DOUBLE PRECISION */
/* d(N0), the last value of d. */
/* DNM1 (output) DOUBLE PRECISION */
/* d(N0-1). */
/* DNM2 (output) DOUBLE PRECISION */
/* d(N0-2). */
/* ===================================================================== */
/* .. Parameter .. */
/* .. */
/* .. Local Scalars .. */
/* .. */
/* .. External Function .. */
/* .. */
/* .. Intrinsic Functions .. */
/* .. */
/* .. Executable Statements .. */
/* Parameter adjustments */
--z__;
/* Function Body */
if (*n0 - *i0 - 1 <= 0) {
return 0;
}
safmin = template_lapack_lamch("Safe minimum", (Treal)0);
j4 = (*i0 << 2) + *pp - 3;
emin = z__[j4 + 4];
d__ = z__[j4];
*dmin__ = d__;
if (*pp == 0) {
i__1 = (*n0 - 3) << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 2] = d__ + z__[j4 - 1];
if (z__[j4 - 2] == 0.) {
z__[j4] = 0.;
d__ = z__[j4 + 1];
*dmin__ = d__;
emin = 0.;
} else if (safmin * z__[j4 + 1] < z__[j4 - 2] && safmin * z__[j4
- 2] < z__[j4 + 1]) {
temp = z__[j4 + 1] / z__[j4 - 2];
z__[j4] = z__[j4 - 1] * temp;
d__ *= temp;
} else {
z__[j4] = z__[j4 + 1] * (z__[j4 - 1] / z__[j4 - 2]);
d__ = z__[j4 + 1] * (d__ / z__[j4 - 2]);
}
*dmin__ = minMACRO(*dmin__,d__);
/* Computing MIN */
d__1 = emin, d__2 = z__[j4];
emin = minMACRO(d__1,d__2);
/* L10: */
}
} else {
i__1 = ( *n0 - 3 ) << 2;
for (j4 = *i0 << 2; j4 <= i__1; j4 += 4) {
z__[j4 - 3] = d__ + z__[j4];
if (z__[j4 - 3] == 0.) {
z__[j4 - 1] = 0.;
d__ = z__[j4 + 2];
*dmin__ = d__;
emin = 0.;
} else if (safmin * z__[j4 + 2] < z__[j4 - 3] && safmin * z__[j4
- 3] < z__[j4 + 2]) {
temp = z__[j4 + 2] / z__[j4 - 3];
z__[j4 - 1] = z__[j4] * temp;
d__ *= temp;
} else {
z__[j4 - 1] = z__[j4 + 2] * (z__[j4] / z__[j4 - 3]);
d__ = z__[j4 + 2] * (d__ / z__[j4 - 3]);
}
*dmin__ = minMACRO(*dmin__,d__);
/* Computing MIN */
d__1 = emin, d__2 = z__[j4 - 1];
emin = minMACRO(d__1,d__2);
/* L20: */
}
}
/* Unroll last two steps. */
*dnm2 = d__;
*dmin2 = *dmin__;
j4 = ( ( *n0 - 2 ) << 2) - *pp;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm2 + z__[j4p2];
if (z__[j4 - 2] == 0.) {
z__[j4] = 0.;
*dnm1 = z__[j4p2 + 2];
*dmin__ = *dnm1;
emin = 0.;
} else if (safmin * z__[j4p2 + 2] < z__[j4 - 2] && safmin * z__[j4 - 2] <
z__[j4p2 + 2]) {
temp = z__[j4p2 + 2] / z__[j4 - 2];
z__[j4] = z__[j4p2] * temp;
*dnm1 = *dnm2 * temp;
} else {
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dnm1 = z__[j4p2 + 2] * (*dnm2 / z__[j4 - 2]);
}
*dmin__ = minMACRO(*dmin__,*dnm1);
*dmin1 = *dmin__;
j4 += 4;
j4p2 = j4 + (*pp << 1) - 1;
z__[j4 - 2] = *dnm1 + z__[j4p2];
if (z__[j4 - 2] == 0.) {
z__[j4] = 0.;
*dn = z__[j4p2 + 2];
*dmin__ = *dn;
emin = 0.;
} else if (safmin * z__[j4p2 + 2] < z__[j4 - 2] && safmin * z__[j4 - 2] <
z__[j4p2 + 2]) {
temp = z__[j4p2 + 2] / z__[j4 - 2];
z__[j4] = z__[j4p2] * temp;
*dn = *dnm1 * temp;
} else {
z__[j4] = z__[j4p2 + 2] * (z__[j4p2] / z__[j4 - 2]);
*dn = z__[j4p2 + 2] * (*dnm1 / z__[j4 - 2]);
}
*dmin__ = minMACRO(*dmin__,*dn);
z__[j4 + 2] = *dn;
z__[(*n0 << 2) - *pp] = emin;
return 0;
/* End of DLASQ6 */
} /* dlasq6_ */
#endif
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