MPQC 2.3.1

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cmatrix.h

    00001 /*
    00002  * cmatrix.h
    00003  *
    00004  * Copyright (C) 1996 Limit Point Systems, Inc.
    00005  *
    00006  * Author: Curtis Janssen <cljanss@ca.sandia.gov>
    00007  * Maintainer: LPS
    00008  *
    00009  * This file is part of the SC Toolkit.
    00010  *
    00011  * The SC Toolkit is free software; you can redistribute it and/or modify
    00012  * it under the terms of the GNU Library General Public License as published by
    00013  * the Free Software Foundation; either version 2, or (at your option)
    00014  * any later version.
    00015  *
    00016  * The SC Toolkit is distributed in the hope that it will be useful,
    00017  * but WITHOUT ANY WARRANTY; without even the implied warranty of
    00018  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00019  * GNU Library General Public License for more details.
    00020  *
    00021  * You should have received a copy of the GNU Library General Public License
    00022  * along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
    00023  * the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
    00024  *
    00025  * The U.S. Government is granted a limited license as per AL 91-7.
    00026  */
    00027
    00028 #ifndef _math_scmat_cmatrix_h
    00029 #define _math_scmat_cmatrix_h
    00030
    00031 #ifdef __cplusplus
    00032 extern "C" {
    00033 #endif
    00034
    00035 /* These routines work in terms of simple arrays.  No testing is done
    00036  * on the input.
    00037  */
    00038     double cmat_determ(double**matrix,int sym,int dim);
    00039     double cmat_invert(double**matrix,int sym,int dim);
    00040     double cmat_solve_lin(double**,int sym,double*,int dim);
    00041     void cmat_mxm(double**a,int transpose_a,
    00042                   double**b,int transpose_b,
    00043                   double**c,int transpose_c,
    00044                   int nrow, int nlink, int ncol,
    00045                   int add);
    00046     void cmat_symmetric_mxm(double**a,int na, /* a is (na,na) */
    00047                             double**b,int nb, /* b is (na,nb) */
    00048                             int add);
    00049     void cmat_transform_symmetric_matrix(double**a,int na, /* a is (na,na) */
    00050                                          double**b,int nb, /* b is (nb,nb) */
    00051                                          double**c,        /* c is (na,nb) */
    00052                                          int add);
    00053     void cmat_transform_diagonal_matrix(double**a,int na, /* a is (na,na) */
    00054                                         double*b,int nb,  /* b is (nb,nb) */
    00055                                         double**c,        /* c is (na,nb) */
    00056                                         int add);
    00057     double** cmat_new_square_matrix(int n);
    00058     double** cmat_new_rect_matrix(int n,int m);
    00059     void cmat_delete_matrix(double**matrix);
    00060     void cmat_transpose_square_matrix(double**matrix,int n);
    00061     void cmat_transpose_matrix(double**a,int nrow,int ncol);
    00062     void cmat_matrix_pointers(double**ptrs,double*matrix,int nrow, int ncol);
    00063     void cmat_diag(double**symm_a, double*evals, double**evecs, int n,
    00064                    int matz, double tol);
    00065     void cmat_schmidt(double **rows, double *S, int nrow, int nc);
    00066     int cmat_schmidt_tol(double **C, double *S, int nrow, int ncol,
    00067                          double tolerance, double *res);
    00068
    00069
    00070 #ifdef __cplusplus
    00071 }
    00072 #endif
    00073
    00074 #endif