MPQC  3.0.0-alpha
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_eigensystem(/*const*/ double**symm_a, /*const*/ double**symm_s, double*evals, double**evecs, int n,
66  int matz);
67  void cmat_schmidt(double **rows, double *S, int nrow, int nc);
68  int cmat_schmidt_tol(double **C, double *S, int nrow, int ncol,
69  double tolerance, double *res);
70 
71 
72 #ifdef __cplusplus
73 }
74 #endif
75 
76 #endif

Generated at Sun Jan 26 2020 23:24:00 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.