1 #ifndef __GABEDIT_GABEDITKPOINTS_H__
2 #define __GABEDIT_GABEDITKPOINTS_H__
3 
4 #include "../../spglib/spglib.h"
5 
6 typedef struct _GabeditKPoint
7 {
8 	gchar name[20];
9 	gdouble C[3];
10 }GabeditKPoint;
11 
12 typedef struct _GabeditKPointsPath
13 {
14 	gchar pearsonSymbol[20];
15 	GList* points;
16 	GList* path;
17 	gdouble Q[3][3];
18 	gdouble Qm1[3][3];
19 	gchar* strPathPrim;
20 	gchar* strPathConv;
21 	gchar* strPointsPrim;
22 	gchar* strPointsConv;
23 	gchar* strAtomsPrim;
24 	gchar* strAtomsConv;
25 	gchar* spaceGroupName;
26 	gint spaceGroupNumber;
27 
28 }GabeditKPointsPath;
29 gchar* getVASPKPointsPath(Crystal* crystal, gdouble symprec);
30 GabeditKPointsPath getKpointsPath(Crystal* crystal, gdouble symprec);
31 gchar* getStrKPointsPath(GabeditKPointsPath* kpointsPath);
32 
33 #endif
34