Gromacs
2024.4
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#include "gmxpre.h"
#include "gromacs/math/nrjac.h"
#include <cmath>
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
Defines wrapper functions for higher-level matrix functions.
Functions | |
template<typename MatrixType > | |
static void | do_rotate (MatrixType a, int i, int j, int k, int l, double tau, double s) |
template<typename MatrixType > | |
static int | jacobi (MatrixType a, const int n, double d[], MatrixType v) |
void | jacobi (double **a, const 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) |