Data Fields
int	nr

int	n_max

int	lambda1_max

int	lambda2_max

double *	r

double *	w

double *	rpp_values

double **	r_N

double **	F1

double **	F2

radial_type2_params_t *	params

Detailed Description

RPP and radial contracted Gaussians are pre-calculated on a grid, and then combined into radial integrals

Definition at line 57 of file grpp_radial_type2_integral.c.

Field Documentation

◆ nr

int radial_type2_grid_t::nr

Definition at line 58 of file grpp_radial_type2_integral.c.

◆ n_max

int radial_type2_grid_t::n_max

Definition at line 59 of file grpp_radial_type2_integral.c.

◆ lambda1_max

int radial_type2_grid_t::lambda1_max

Definition at line 60 of file grpp_radial_type2_integral.c.

◆ lambda2_max

int radial_type2_grid_t::lambda2_max

Definition at line 61 of file grpp_radial_type2_integral.c.

◆ r

double* radial_type2_grid_t::r

Definition at line 62 of file grpp_radial_type2_integral.c.

◆ w

double* radial_type2_grid_t::w

Definition at line 63 of file grpp_radial_type2_integral.c.

◆ rpp_values

double* radial_type2_grid_t::rpp_values

Definition at line 64 of file grpp_radial_type2_integral.c.

◆ r_N

double** radial_type2_grid_t::r_N

Definition at line 65 of file grpp_radial_type2_integral.c.

◆ F1

double** radial_type2_grid_t::F1

Definition at line 66 of file grpp_radial_type2_integral.c.

◆ F2

double** radial_type2_grid_t::F2

Definition at line 67 of file grpp_radial_type2_integral.c.

◆ params

radial_type2_params_t* radial_type2_grid_t::params

Definition at line 68 of file grpp_radial_type2_integral.c.

The documentation for this struct was generated from the following file:

grpp/grpp_radial_type2_integral.c

Data Fields