include/gmx_matrix.h

   1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
   2  * $Id: gmx_matrix.h,v 1.2 2008/11/26 11:06:21 spoel Exp $
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  36
  37 #ifndef _gmx_matrix_h
  38 #define _gmx_matrix_h
  39
  40 #include <stdio.h>
  41
  42 double **alloc_matrix(int n,int m);
  43
  44 void free_matrix(double **a,int n);
  45
  46 void matrix_multiply(FILE *fp,int n,int m,double **x,double **y,double **z);
  47
  48 /* Return 0 if OK or row number where inversion failed otherwise. */
  49 int matrix_invert(FILE *fp,int n,double **a);
  50
  51 double multi_regression(FILE *fp,int ny,double *y,
  52                                int nx,double **xx,double *a0);
  53 /* Perform a regression analysis to fit
  54  * y' = a0[0] xx[0] + a0[1] xx[1] ... + a0[nx-1] xx[nx-1]
  55  * with ny data points in each vector.
  56  * The coefficients are returned in vector a0.
  57  * The return value of the function is the chi2 value:
  58  * sum_{j=0}^{ny-1} (y[j] - y'[j])^2
  59  * If fp is not NULL debug information will be written to it.
  60  */
  61
  62 #endif