atomes 1.1.16
atomes: an atomic scale modeling tool box
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space_group Struct Reference

#include <glwin.h>

+ Collaboration diagram for space_group:

Data Fields

int id
 
gcharname
 
gcharhms
 
gcharbravais
 
gcharsetting
 
int sid
 
int nums
 
spg_settingsettings
 
int numw
 
wyckoff_positionwyckoff
 
mat4_t coord_origin
 
mat4_t wyck_origin
 

Detailed Description

Definition at line 619 of file glwin.h.

Field Documentation

◆ bravais

gchar* bravais

Type of Bravais lattice

Definition at line 624 of file glwin.h.

◆ coord_origin

mat4_t coord_origin

Origin of the atomic coordinates

Definition at line 631 of file glwin.h.

◆ hms

gchar* hms

Hermann-Mauguin symbol

Definition at line 623 of file glwin.h.

◆ id

int id

ID number, in [1-230]

Definition at line 621 of file glwin.h.

◆ name

gchar* name

Name

Definition at line 622 of file glwin.h.

◆ nums

int nums

Number of possible setting(s)

Definition at line 627 of file glwin.h.

◆ numw

int numw

Number of Wyckoff position(s)

Definition at line 629 of file glwin.h.

◆ setting

gchar* setting

Available setting(s), if any

Definition at line 625 of file glwin.h.

◆ settings

spg_setting* settings

Space group settings

Definition at line 628 of file glwin.h.

◆ sid

int sid

Selected setting, if any

Definition at line 626 of file glwin.h.

◆ wyck_origin

mat4_t wyck_origin

Origin of the Wyckoff positions

Definition at line 632 of file glwin.h.

◆ wyckoff

wyckoff_position* wyckoff

Wyckoff position(s)

Definition at line 630 of file glwin.h.


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