atom_species.c File Reference

Functions to look for new chemical species and modify the chemical information accordingly. More...

#include "atom_edit.h"

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Functions
chemical_data *	duplicate_chemical_data (int spec, chemical_data *chem)
	duplicate chemical data information
int	find_spec_id (int s, int z, double *list_z)
	find species id based on Z
int	search_for_new_spec (atom_edition *edit, atomic_object *object)
	search for new chemical species

Detailed Description

Functions to look for new chemical species and modify the chemical information accordingly.

Author

Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file atom_species.c.

Function Documentation

duplicate_chemical_data()

chemical_data * duplicate_chemical_data	(	int	spec,
		chemical_data *	chem )

duplicate chemical data information

Parameters

spec	the number of chemical species
chem	the chemical data to duplicate

Definition at line 50 of file atom_species.c.

find_spec_id()

int find_spec_id	(	int	s,
		int	z,
		double *	list_z )

find species id based on Z

Parameters

s	the number of chemical species
z	the target Z
list_z	the list of Z values

Definition at line 83 of file atom_species.c.

search_for_new_spec()

int search_for_new_spec	(	atom_edition *	edit,
		atomic_object *	object )

search for new chemical species

Parameters

edit	the edition window
object	the target insert object

Definition at line 107 of file atom_species.c.