grpp_fortran.c File Reference

#include <math.h>
#include <stdint.h>
#include <stdio.h>
#include <stdlib.h>
#include "grpp_factorial.h"
#include "libgrpp.h"

Go to the source code of this file.

Functions
void	libgrpp_set_default_parameters_ ()
void	libgrpp_set_radial_tolerance_ (const double *tolerance)
void	libgrpp_set_angular_screening_tolerance_ (const double *tolerance)
void	libgrpp_set_modified_bessel_tolerance_ (const double *tolerance)
void	libgrpp_set_cartesian_order_ (const int32_t *order)
void	libgrpp_init_ ()
void	libgrpp_finalize_ ()
void	libgrpp_type1_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *rpp_origin, int32_t *rpp_num_primitives, int32_t *rpp_powers, double *rpp_coeffs, double *rpp_alpha, double *matrix)
void	libgrpp_type2_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *pot_origin, int32_t *pot_L, int32_t *pot_num_primitives, int32_t *pot_powers, double *pot_coeffs, double *pot_alpha, double *matrix)
void	libgrpp_spin_orbit_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *pot_origin, int32_t *pot_L, int32_t *pot_num_primitives, int32_t *pot_powers, double *pot_coeffs, double *pot_alpha, double *so_x_matrix, double *so_y_matrix, double *so_z_matrix)
void	libgrpp_outercore_potential_integrals_part_1_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *pot_origin, int32_t *pot_L, int32_t *pot_J, int32_t *pot_num_primitives, int32_t *pot_powers, double *pot_coeffs, double *pot_alpha, int32_t *oc_shell_num_primitives, double *oc_shell_coeffs, double *oc_shell_alpha, double *arep_matrix, double *so_x_matrix, double *so_y_matrix, double *so_z_matrix)
void	libgrpp_outercore_potential_integrals_part_2_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *pot_origin, int32_t *oc_shell_1_L, int32_t *oc_shell_1_J, int32_t *pot1_num_primitives, int32_t *pot1_powers, double *pot1_coeffs, double *pot1_alpha, int32_t *oc_shell_1_num_primitives, double *oc_shell_1_coeffs, double *oc_shell_1_alpha, int32_t *oc_shell_2_L, int32_t *oc_shell_2_J, int32_t *pot2_num_primitives, int32_t *pot2_powers, double *pot2_coeffs, double *pot2_alpha, int32_t *oc_shell_2_num_primitives, double *oc_shell_2_coeffs, double *oc_shell_2_alpha, double *arep_matrix, double *so_x_matrix, double *so_y_matrix, double *so_z_matrix)
void	libgrpp_type1_integrals_gradient_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *rpp_origin, int32_t *rpp_num_primitives, int32_t *rpp_powers, double *rpp_coeffs, double *rpp_alpha, double *point_3d, double *grad_arep_x, double *grad_arep_y, double *grad_arep_z)
void	libgrpp_type2_integrals_gradient_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *pot_origin, int32_t *pot_L, int32_t *pot_num_primitives, int32_t *pot_powers, double *pot_coeffs, double *pot_alpha, double *point_3d, double *grad_arep_x, double *grad_arep_y, double *grad_arep_z)
void	libgrpp_spin_orbit_integrals_gradient_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *pot_origin, int32_t *pot_L, int32_t *pot_num_primitives, int32_t *pot_powers, double *pot_coeffs, double *pot_alpha, double *point_3d, double *grad_sox_x, double *grad_sox_y, double *grad_sox_z, double *grad_soy_x, double *grad_soy_y, double *grad_soy_z, double *grad_soz_x, double *grad_soz_y, double *grad_soz_z)
void	evaluate_overlap_integral_contracted_ (double *origin_A, int32_t *n_A, int32_t *l_A, int32_t *m_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *n_B, int32_t *l_B, int32_t *m_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *overlap_integral)
void	radial_gto_norm_factor_ (int32_t *L, int32_t *num_primitives, double *coeffs, double *alpha, double *norm)
void	libgrpp_overlap_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *matrix)
void	libgrpp_kinetic_energy_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *matrix)
void	libgrpp_momentum_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *matrix_x, double *matrix_y, double *matrix_z)
void	libgrpp_nuclear_attraction_integrals_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *charge_origin, int32_t *charge, int32_t *nuclear_model, double *model_params, double *matrix)
void	libgrpp_nuclear_attraction_integrals_point_charge_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *charge_origin, int32_t *charge, double *matrix)
void	libgrpp_nuclear_attraction_integrals_charged_ball_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *charge_origin, int32_t *charge, double *r_rms, double *matrix)
void	libgrpp_nuclear_attraction_integrals_gaussian_model_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *charge_origin, int32_t *charge, double *r_rms, double *matrix)
void	libgrpp_nuclear_attraction_integrals_fermi_model_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *charge_origin, int32_t *charge, double *fermi_param_c, double *fermi_param_a, double *matrix)
void	libgrpp_nuclear_attraction_integrals_fermi_bubble_model_ (double *origin_A, int32_t *L_A, int32_t *num_primitives_A, double *coeffs_A, double *alpha_A, double *origin_B, int32_t *L_B, int32_t *num_primitives_B, double *coeffs_B, double *alpha_B, double *charge_origin, int32_t *charge, double *fermi_param_c, double *fermi_param_a, double *param_k, double *matrix)
void	libgrpp_estimate_nuclear_rms_radius_johnson_1985_ (int32_t *A, double *R_rms)
void	libgrpp_estimate_nuclear_rms_radius_golovko_2008_ (int32_t *A, double *R_rms)
void	libgrpp_estimate_fermi_model_parameters_ (double *R_rms, double *c, double *a, int32_t *err_code)
void	libgrpp_charge_density_ball_ (double *r, double *Z, double *R_rms, double *rho)
void	libgrpp_charge_density_gaussian_ (double *r, double *Z, double *R_rms, double *rho)
void	libgrpp_charge_density_fermi_ (double *r, double *Z, double *c, double *a, double *rho)
void	libgrpp_charge_density_fermi_bubble_ (double *r, double *Z, double *c, double *a, double *k, double *rho)
void	libgrpp_coulomb_potential_point_ (double *r, double *Z, double *potential)
void	libgrpp_coulomb_potential_ball_ (double *r, double *Z, double *R_rms, double *potential)
void	libgrpp_coulomb_potential_gaussian_ (double *r, double *Z, double *R_rms, double *potential)
void	libgrpp_coulomb_potential_fermi_ (double *r, double *Z, double *c, double *a, double *potential)
void	libgrpp_coulomb_potential_fermi_bubble_ (double *r, double *Z, double *c, double *a, double *k, double *potential)
void	libgrpp_rms_radius_fermi_ (int32_t *Z, double *c, double *a, double *r_rms)
void	libgrpp_rms_radius_fermi_bubble_ (int32_t *Z, double *c, double *a, double *k, double *r_rms)

Function Documentation

libgrpp_set_default_parameters_()

void libgrpp_set_default_parameters_

(

)

Definition at line 36 of file grpp_fortran.c.

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libgrpp_set_radial_tolerance_()

void libgrpp_set_radial_tolerance_

(

const double *

tolerance

)

Definition at line 38 of file grpp_fortran.c.

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libgrpp_set_angular_screening_tolerance_()

void libgrpp_set_angular_screening_tolerance_

(

const double *

tolerance

)

Definition at line 42 of file grpp_fortran.c.

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libgrpp_set_modified_bessel_tolerance_()

void libgrpp_set_modified_bessel_tolerance_

(

const double *

tolerance

)

Definition at line 46 of file grpp_fortran.c.

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libgrpp_set_cartesian_order_()

void libgrpp_set_cartesian_order_

(

const int32_t *

order

)

Definition at line 50 of file grpp_fortran.c.

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libgrpp_init_()

void libgrpp_init_

(

)

Definition at line 57 of file grpp_fortran.c.

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libgrpp_finalize_()

void libgrpp_finalize_

(

)

Definition at line 59 of file grpp_fortran.c.

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libgrpp_type1_integrals_()

void libgrpp_type1_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	rpp_origin,
		int32_t *	rpp_num_primitives,
		int32_t *	rpp_powers,
		double *	rpp_coeffs,
		double *	rpp_alpha,
		double *	matrix
	)

Definition at line 65 of file grpp_fortran.c.

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libgrpp_type2_integrals_()

void libgrpp_type2_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	pot_origin,
		int32_t *	pot_L,
		int32_t *	pot_num_primitives,
		int32_t *	pot_powers,
		double *	pot_coeffs,
		double *	pot_alpha,
		double *	matrix
	)

Definition at line 102 of file grpp_fortran.c.

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libgrpp_spin_orbit_integrals_()

void libgrpp_spin_orbit_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	pot_origin,
		int32_t *	pot_L,
		int32_t *	pot_num_primitives,
		int32_t *	pot_powers,
		double *	pot_coeffs,
		double *	pot_alpha,
		double *	so_x_matrix,
		double *	so_y_matrix,
		double *	so_z_matrix
	)

Definition at line 139 of file grpp_fortran.c.

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libgrpp_outercore_potential_integrals_part_1_()

void libgrpp_outercore_potential_integrals_part_1_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	pot_origin,
		int32_t *	pot_L,
		int32_t *	pot_J,
		int32_t *	pot_num_primitives,
		int32_t *	pot_powers,
		double *	pot_coeffs,
		double *	pot_alpha,
		int32_t *	oc_shell_num_primitives,
		double *	oc_shell_coeffs,
		double *	oc_shell_alpha,
		double *	arep_matrix,
		double *	so_x_matrix,
		double *	so_y_matrix,
		double *	so_z_matrix
	)

Outercore RPP integrals (non-local terms with projectors onto outercore spinors)

Part 1: integration of the first non-local term: U*|nlj><nlj| + |nlj><nlj|*U

Definition at line 187 of file grpp_fortran.c.

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libgrpp_outercore_potential_integrals_part_2_()

void libgrpp_outercore_potential_integrals_part_2_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	pot_origin,
		int32_t *	oc_shell_1_L,
		int32_t *	oc_shell_1_J,
		int32_t *	pot1_num_primitives,
		int32_t *	pot1_powers,
		double *	pot1_coeffs,
		double *	pot1_alpha,
		int32_t *	oc_shell_1_num_primitives,
		double *	oc_shell_1_coeffs,
		double *	oc_shell_1_alpha,
		int32_t *	oc_shell_2_L,
		int32_t *	oc_shell_2_J,
		int32_t *	pot2_num_primitives,
		int32_t *	pot2_powers,
		double *	pot2_coeffs,
		double *	pot2_alpha,
		int32_t *	oc_shell_2_num_primitives,
		double *	oc_shell_2_coeffs,
		double *	oc_shell_2_alpha,
		double *	arep_matrix,
		double *	so_x_matrix,
		double *	so_y_matrix,
		double *	so_z_matrix
	)

Outercore RPP integrals (non-local terms with projectors onto outercore spinors)

Part 2: integration of the second non-local term: |nlj><nlj| U |n'lj><n'lj|

Definition at line 263 of file grpp_fortran.c.

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libgrpp_type1_integrals_gradient_()

void libgrpp_type1_integrals_gradient_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	rpp_origin,
		int32_t *	rpp_num_primitives,
		int32_t *	rpp_powers,
		double *	rpp_coeffs,
		double *	rpp_alpha,
		double *	point_3d,
		double *	grad_arep_x,
		double *	grad_arep_y,
		double *	grad_arep_z
	)

Analytic calculation of gradients of LOCAL potential integrals for a given shell pair with respect to the point 'point_3d'.

Definition at line 359 of file grpp_fortran.c.

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libgrpp_type2_integrals_gradient_()

void libgrpp_type2_integrals_gradient_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	pot_origin,
		int32_t *	pot_L,
		int32_t *	pot_num_primitives,
		int32_t *	pot_powers,
		double *	pot_coeffs,
		double *	pot_alpha,
		double *	point_3d,
		double *	grad_arep_x,
		double *	grad_arep_y,
		double *	grad_arep_z
	)

Analytic calculation of gradients of SEMI-LOCAL potential integrals for a given shell pair with respect to the point 'point_3d'.

Definition at line 403 of file grpp_fortran.c.

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libgrpp_spin_orbit_integrals_gradient_()

void libgrpp_spin_orbit_integrals_gradient_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	pot_origin,
		int32_t *	pot_L,
		int32_t *	pot_num_primitives,
		int32_t *	pot_powers,
		double *	pot_coeffs,
		double *	pot_alpha,
		double *	point_3d,
		double *	grad_sox_x,
		double *	grad_sox_y,
		double *	grad_sox_z,
		double *	grad_soy_x,
		double *	grad_soy_y,
		double *	grad_soy_z,
		double *	grad_soz_x,
		double *	grad_soz_y,
		double *	grad_soz_z
	)

Analytic calculation of gradients of integrals over the effective spin-orbit operator (potential) for a given shell pair (with respect to the point 'point_3d').

Definition at line 447 of file grpp_fortran.c.

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evaluate_overlap_integral_contracted_()

void evaluate_overlap_integral_contracted_	(	double *	origin_A,
		int32_t *	n_A,
		int32_t *	l_A,
		int32_t *	m_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	n_B,
		int32_t *	l_B,
		int32_t *	m_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	overlap_integral
	)

Overlap integrals between two contracted Gaussians with given cartesian parts x^n y^l z^m (auxiliary function)

Definition at line 516 of file grpp_fortran.c.

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radial_gto_norm_factor_()

void radial_gto_norm_factor_	(	int32_t *	L,
		int32_t *	num_primitives,
		double *	coeffs,
		double *	alpha,
		double *	norm
	)

Definition at line 554 of file grpp_fortran.c.

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libgrpp_overlap_integrals_()

void libgrpp_overlap_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	matrix
	)

Definition at line 572 of file grpp_fortran.c.

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libgrpp_kinetic_energy_integrals_()

void libgrpp_kinetic_energy_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	matrix
	)

Definition at line 596 of file grpp_fortran.c.

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libgrpp_momentum_integrals_()

void libgrpp_momentum_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	matrix_x,
		double *	matrix_y,
		double *	matrix_z
	)

Definition at line 620 of file grpp_fortran.c.

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libgrpp_nuclear_attraction_integrals_()

void libgrpp_nuclear_attraction_integrals_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	charge_origin,
		int32_t *	charge,
		int32_t *	nuclear_model,
		double *	model_params,
		double *	matrix
	)

Definition at line 644 of file grpp_fortran.c.

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libgrpp_nuclear_attraction_integrals_point_charge_()

void libgrpp_nuclear_attraction_integrals_point_charge_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	charge_origin,
		int32_t *	charge,
		double *	matrix
	)

Definition at line 668 of file grpp_fortran.c.

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libgrpp_nuclear_attraction_integrals_charged_ball_()

void libgrpp_nuclear_attraction_integrals_charged_ball_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	charge_origin,
		int32_t *	charge,
		double *	r_rms,
		double *	matrix
	)

Definition at line 691 of file grpp_fortran.c.

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libgrpp_nuclear_attraction_integrals_gaussian_model_()

void libgrpp_nuclear_attraction_integrals_gaussian_model_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	charge_origin,
		int32_t *	charge,
		double *	r_rms,
		double *	matrix
	)

Definition at line 714 of file grpp_fortran.c.

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libgrpp_nuclear_attraction_integrals_fermi_model_()

void libgrpp_nuclear_attraction_integrals_fermi_model_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	charge_origin,
		int32_t *	charge,
		double *	fermi_param_c,
		double *	fermi_param_a,
		double *	matrix
	)

Definition at line 737 of file grpp_fortran.c.

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libgrpp_nuclear_attraction_integrals_fermi_bubble_model_()

void libgrpp_nuclear_attraction_integrals_fermi_bubble_model_	(	double *	origin_A,
		int32_t *	L_A,
		int32_t *	num_primitives_A,
		double *	coeffs_A,
		double *	alpha_A,
		double *	origin_B,
		int32_t *	L_B,
		int32_t *	num_primitives_B,
		double *	coeffs_B,
		double *	alpha_B,
		double *	charge_origin,
		int32_t *	charge,
		double *	fermi_param_c,
		double *	fermi_param_a,
		double *	param_k,
		double *	matrix
	)

Definition at line 762 of file grpp_fortran.c.

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libgrpp_estimate_nuclear_rms_radius_johnson_1985_()

void libgrpp_estimate_nuclear_rms_radius_johnson_1985_	(	int32_t *	A,
		double *	R_rms
	)

Definition at line 791 of file grpp_fortran.c.

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libgrpp_estimate_nuclear_rms_radius_golovko_2008_()

void libgrpp_estimate_nuclear_rms_radius_golovko_2008_	(	int32_t *	A,
		double *	R_rms
	)

Definition at line 796 of file grpp_fortran.c.

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libgrpp_estimate_fermi_model_parameters_()

void libgrpp_estimate_fermi_model_parameters_	(	double *	R_rms,
		double *	c,
		double *	a,
		int32_t *	err_code
	)

Definition at line 801 of file grpp_fortran.c.

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libgrpp_charge_density_ball_()

void libgrpp_charge_density_ball_	(	double *	r,
		double *	Z,
		double *	R_rms,
		double *	rho
	)

Definition at line 806 of file grpp_fortran.c.

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libgrpp_charge_density_gaussian_()

void libgrpp_charge_density_gaussian_	(	double *	r,
		double *	Z,
		double *	R_rms,
		double *	rho
	)

Definition at line 811 of file grpp_fortran.c.

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libgrpp_charge_density_fermi_()

void libgrpp_charge_density_fermi_	(	double *	r,
		double *	Z,
		double *	c,
		double *	a,
		double *	rho
	)

Definition at line 816 of file grpp_fortran.c.

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libgrpp_charge_density_fermi_bubble_()

void libgrpp_charge_density_fermi_bubble_	(	double *	r,
		double *	Z,
		double *	c,
		double *	a,
		double *	k,
		double *	rho
	)

Definition at line 821 of file grpp_fortran.c.

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libgrpp_coulomb_potential_point_()

void libgrpp_coulomb_potential_point_	(	double *	r,
		double *	Z,
		double *	potential
	)

Definition at line 826 of file grpp_fortran.c.

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libgrpp_coulomb_potential_ball_()

void libgrpp_coulomb_potential_ball_	(	double *	r,
		double *	Z,
		double *	R_rms,
		double *	potential
	)

Definition at line 830 of file grpp_fortran.c.

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libgrpp_coulomb_potential_gaussian_()

void libgrpp_coulomb_potential_gaussian_	(	double *	r,
		double *	Z,
		double *	R_rms,
		double *	potential
	)

Definition at line 835 of file grpp_fortran.c.

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libgrpp_coulomb_potential_fermi_()

void libgrpp_coulomb_potential_fermi_	(	double *	r,
		double *	Z,
		double *	c,
		double *	a,
		double *	potential
	)

Definition at line 840 of file grpp_fortran.c.

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libgrpp_coulomb_potential_fermi_bubble_()

void libgrpp_coulomb_potential_fermi_bubble_	(	double *	r,
		double *	Z,
		double *	c,
		double *	a,
		double *	k,
		double *	potential
	)

Definition at line 845 of file grpp_fortran.c.

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libgrpp_rms_radius_fermi_()

void libgrpp_rms_radius_fermi_	(	int32_t *	Z,
		double *	c,
		double *	a,
		double *	r_rms
	)

Definition at line 851 of file grpp_fortran.c.

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libgrpp_rms_radius_fermi_bubble_()

void libgrpp_rms_radius_fermi_bubble_	(	int32_t *	Z,
		double *	c,
		double *	a,
		double *	k,
		double *	r_rms
	)

Definition at line 856 of file grpp_fortran.c.

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