/usr/include/gromacs/linearalgebra/matrix.h is in libgromacs-dev 5.1.2-1ubuntu1.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef GMX_LINEARALGEBRA_MATRIX_H
#define GMX_LINEARALGEBRA_MATRIX_H
#include <stdio.h>
#ifdef __cplusplus
extern "C"
{
#endif
double **alloc_matrix(int n, int m);
void free_matrix(double **a);
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);
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.
*/
#ifdef __cplusplus
}
#endif
#endif
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