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grpp.c File Reference
#include "libgrpp.h"
#include <stdlib.h>

Go to the source code of this file.

Macros

#define LIBGRPP_MAX_NUMBER_POTENTIALS   100
 

Functions

libgrpp_grpp_tlibgrpp_new_grpp ()
 
void libgrpp_grpp_set_local_potential (libgrpp_grpp_t *grpp, libgrpp_potential_t *pot)
 
void libgrpp_grpp_add_averaged_potential (libgrpp_grpp_t *grpp, libgrpp_potential_t *pot)
 
void libgrpp_grpp_add_spin_orbit_potential (libgrpp_grpp_t *grpp, libgrpp_potential_t *pot)
 
void libgrpp_grpp_add_outercore_potential (libgrpp_grpp_t *grpp, libgrpp_potential_t *pot, libgrpp_shell_t *oc_shell)
 
void libgrpp_delete_grpp (libgrpp_grpp_t *grpp)
 

Macro Definition Documentation

◆ LIBGRPP_MAX_NUMBER_POTENTIALS

#define LIBGRPP_MAX_NUMBER_POTENTIALS   100

Definition at line 19 of file grpp.c.

Function Documentation

◆ libgrpp_new_grpp()

libgrpp_grpp_t * libgrpp_new_grpp ( )

Definition at line 21 of file grpp.c.

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◆ libgrpp_grpp_set_local_potential()

void libgrpp_grpp_set_local_potential ( libgrpp_grpp_t grpp,
libgrpp_potential_t pot 
)

Definition at line 25 of file grpp.c.

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◆ libgrpp_grpp_add_averaged_potential()

void libgrpp_grpp_add_averaged_potential ( libgrpp_grpp_t grpp,
libgrpp_potential_t pot 
)

Definition at line 34 of file grpp.c.

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◆ libgrpp_grpp_add_spin_orbit_potential()

void libgrpp_grpp_add_spin_orbit_potential ( libgrpp_grpp_t grpp,
libgrpp_potential_t pot 
)

Definition at line 44 of file grpp.c.

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◆ libgrpp_grpp_add_outercore_potential()

void libgrpp_grpp_add_outercore_potential ( libgrpp_grpp_t grpp,
libgrpp_potential_t pot,
libgrpp_shell_t oc_shell 
)

Definition at line 54 of file grpp.c.

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◆ libgrpp_delete_grpp()

void libgrpp_delete_grpp ( libgrpp_grpp_t grpp)

Definition at line 69 of file grpp.c.

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