Gromacs  2023.1
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nrjac.h File Reference
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/real.h"
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Description

Declares wrapper functions for higher-level matrix functions.

Functions

void jacobi (double **a, int numDimensions, double *eigenvalues, double **eigenvectors, int *numRotations)
 
int jacobi (gmx::ArrayRef< gmx::DVec > a, gmx::ArrayRef< double > eigenvalues, gmx::ArrayRef< gmx::DVec > eigenvectors)
 
int m_inv_gen (const real *m, int n, real *minv)