2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2012,2013, by the GROMACS development team, led by
5 * David van der Spoel, Berk Hess, Erik Lindahl, and including many
6 * others, as listed in the AUTHORS file in the top-level source
7 * directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
36 #include "gmx_lapack.h"
37 #include "lapack_limits.h"
40 F77_FUNC(dtrti2,DTRTI2)(const char *uplo,
47 int a_dim1, a_offset, i__1, i__2;
56 a_offset = 1 + a_dim1;
60 upper = (*uplo=='U' || *uplo=='u');
61 nounit = (*diag=='N' || *diag=='n');
71 for (j = 1; j <= i__1; ++j) {
73 a[j + j * a_dim1] = 1. / a[j + j * a_dim1];
74 ajj = -a[j + j * a_dim1];
80 F77_FUNC(dtrmv,DTRMV)("Upper", "No transpose", diag, &i__2, &a[a_offset], lda, &
81 a[j * a_dim1 + 1], &c__1);
83 F77_FUNC(dscal,DSCAL)(&i__2, &ajj, &a[j * a_dim1 + 1], &c__1);
87 for (j = *n; j >= 1; --j) {
89 a[j + j * a_dim1] = 1. / a[j + j * a_dim1];
90 ajj = -a[j + j * a_dim1];
97 F77_FUNC(dtrmv,DTRMV)("Lower", "No transpose", diag, &i__1, &a[j + 1 + (j +
98 1) * a_dim1], lda, &a[j + 1 + j * a_dim1], &c__1);
100 F77_FUNC(dscal,DSCAL)(&i__1, &ajj, &a[j + 1 + j * a_dim1], &c__1);