grpp_parameters.h File Reference

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Data Structures
struct	libgrpp_parameters_t

Enumerations
enum	{ LIBGRPP_CART_ORDER_DIRAC , LIBGRPP_CART_ORDER_TURBOMOLE }

Functions
void	libgrpp_set_default_parameters ()
void	libgrpp_set_radial_tolerance (double tolerance)
void	libgrpp_set_angular_screening_tolerance (double tolerance)
void	libgrpp_set_modified_bessel_tolerance (double tolerance)
void	libgrpp_set_cartesian_order (int order)
void	libgrpp_set_cartesian_generator (int(*cartesian_generator)(int L, int *cart_list))

Variables
libgrpp_parameters_t	libgrpp_params

Enumeration Type Documentation

anonymous enum

anonymous enum

Enumerator
LIBGRPP_CART_ORDER_DIRAC
LIBGRPP_CART_ORDER_TURBOMOLE

Definition at line 18 of file grpp_parameters.h.

Function Documentation

libgrpp_set_default_parameters()

void libgrpp_set_default_parameters

(

)

Definition at line 33 of file grpp_parameters.c.

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libgrpp_set_radial_tolerance()

void libgrpp_set_radial_tolerance

(

double

tolerance

)

Definition at line 43 of file grpp_parameters.c.

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libgrpp_set_angular_screening_tolerance()

void libgrpp_set_angular_screening_tolerance

(

double

tolerance

)

Definition at line 48 of file grpp_parameters.c.

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libgrpp_set_modified_bessel_tolerance()

void libgrpp_set_modified_bessel_tolerance

(

double

tolerance

)

Definition at line 53 of file grpp_parameters.c.

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libgrpp_set_cartesian_order()

void libgrpp_set_cartesian_order

(

int

order

)

Definition at line 58 of file grpp_parameters.c.

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libgrpp_set_cartesian_generator()

void libgrpp_set_cartesian_generator

(

int(*)(int L, int *cart_list)

cartesian_generator

)

Definition at line 72 of file grpp_parameters.c.

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Variable Documentation

libgrpp_params

libgrpp_parameters_t libgrpp_params

extern

Definition at line 22 of file grpp_parameters.c.