/usr/include/gromacs/gmx_matrix.h is in gromacs-dev 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef _gmx_matrix_h
#define _gmx_matrix_h
#include <stdio.h>
#include "visibility.h"
double **alloc_matrix(int n, int m);
GMX_LIBGMX_EXPORT
void free_matrix(double **a, int n);
void matrix_multiply(FILE *fp, int n, int m, double **x, double **y, double **z);
/* Return 0 if OK or row number where inversion failed otherwise. */
int matrix_invert(FILE *fp, int n, double **a);
GMX_LIBGMX_EXPORT
double multi_regression(FILE *fp, int ny, double *y,
int nx, double **xx, double *a0);
/* Perform a regression analysis to fit
* y' = a0[0] xx[0] + a0[1] xx[1] ... + a0[nx-1] xx[nx-1]
* with ny data points in each vector.
* The coefficients are returned in vector a0.
* The return value of the function is the chi2 value:
* sum_{j=0}^{ny-1} (y[j] - y'[j])^2
* If fp is not NULL debug information will be written to it.
*/
#endif
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