nrjac.cpp File Reference

#include "gmxpre.h"
#include "gromacs/math/nrjac.h"
#include <cmath>
#include <cstdlib>
#include <filesystem>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/smalloc.h"

Include dependency graph for nrjac.cpp:

Description

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)