hermite_conversion_explicit.cc File Reference

Code for explicitly computing the matrix for conversion between integrals computed for Hermite Gaussians and Cartesian Gaussians, for given nmax and exponent values. More...

#include <stdio.h>
#include <stdlib.h>
#include <memory.h>
#include <cmath>
#include "hermite_conversion_symb.h"
#include "mat_gblas.h"

Functions
int	get_hermite_conversion_matrix (const monomial_info_struct *monomial_info, int nmax, int inverseFlag, ergo_real exponent, ergo_real *result)

Detailed Description

Code for explicitly computing the matrix for conversion between integrals computed for Hermite Gaussians and Cartesian Gaussians, for given nmax and exponent values.

Author

: Elias Rudberg responsible

Function Documentation

get_hermite_conversion_matrix()

int get_hermite_conversion_matrix	(	const monomial_info_struct *	monomial_info,
		int	nmax,
		int	inverseFlag,
		ergo_real	exponent,
		ergo_real *	result )

References get_hermite_conversion_matrix_symb(), monomial_info_struct::no_of_monomials_list, and template_blas_pow().