MPQC 2.3.1

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cmatrix.h
1 /*
2 * cmatrix.h
3 *
4 * Copyright (C) 1996 Limit Point Systems, Inc.
5 *
6 * Author: Curtis Janssen <cljanss@ca.sandia.gov>
7 * Maintainer: LPS
8 *
9 * This file is part of the SC Toolkit.
10 *
11 * The SC Toolkit is free software; you can redistribute it and/or modify
12 * it under the terms of the GNU Library General Public License as published by
13 * the Free Software Foundation; either version 2, or (at your option)
14 * any later version.
15 *
16 * The SC Toolkit is distributed in the hope that it will be useful,
17 * but WITHOUT ANY WARRANTY; without even the implied warranty of
18 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 * GNU Library General Public License for more details.
20 *
21 * You should have received a copy of the GNU Library General Public License
22 * along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 * the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 *
25 * The U.S. Government is granted a limited license as per AL 91-7.
26 */
27
28 #ifndef _math_scmat_cmatrix_h
29 #define _math_scmat_cmatrix_h
30
31 #ifdef __cplusplus
32 extern "C" {
33 #endif
34
35 /* These routines work in terms of simple arrays. No testing is done
36 * on the input.
37 */
38 double cmat_determ(double**matrix,int sym,int dim);
39 double cmat_invert(double**matrix,int sym,int dim);
40 double cmat_solve_lin(double**,int sym,double*,int dim);
41 void cmat_mxm(double**a,int transpose_a,
42 double**b,int transpose_b,
43 double**c,int transpose_c,
44 int nrow, int nlink, int ncol,
45 int add);
46 void cmat_symmetric_mxm(double**a,int na, /* a is (na,na) */
47 double**b,int nb, /* b is (na,nb) */
48 int add);
49 void cmat_transform_symmetric_matrix(double**a,int na, /* a is (na,na) */
50 double**b,int nb, /* b is (nb,nb) */
51 double**c, /* c is (na,nb) */
52 int add);
53 void cmat_transform_diagonal_matrix(double**a,int na, /* a is (na,na) */
54 double*b,int nb, /* b is (nb,nb) */
55 double**c, /* c is (na,nb) */
56 int add);
57 double** cmat_new_square_matrix(int n);
58 double** cmat_new_rect_matrix(int n,int m);
59 void cmat_delete_matrix(double**matrix);
60 void cmat_transpose_square_matrix(double**matrix,int n);
61 void cmat_transpose_matrix(double**a,int nrow,int ncol);
62 void cmat_matrix_pointers(double**ptrs,double*matrix,int nrow, int ncol);
63 void cmat_diag(double**symm_a, double*evals, double**evecs, int n,
64 int matz, double tol);
65 void cmat_schmidt(double **rows, double *S, int nrow, int nc);
66 int cmat_schmidt_tol(double **C, double *S, int nrow, int ncol,
67 double tolerance, double *res);
68
69
70 #ifdef __cplusplus
71 }
72 #endif
73
74 #endif