1 #ifndef __GABEDIT_GABEDITSPG_H__ 2 #define __GABEDIT_GABEDITSPG_H__ 3 4 #include "../../spglib/spglib.h" 5 gboolean crystalloGetNiggli(GList* atoms, gdouble newTv[][3], gdouble symprec); 6 gboolean crystalloGetDelaunay(GList* atoms, gdouble newTv[][3], gdouble symprec); 7 /* gboolean crystalloGetPrimitive(GList* atoms, gdouble newTv[][3], gdouble symprec);*/ 8 gint crystalloGetGroupName(GList* atoms, char groupName[], gdouble symprec); 9 GList* crystalloStandardizeCellSPG(GList* atoms, gint to_primitive, gint no_idealize, gdouble symprec); 10 GList* crystalloPrimitiveSPG(GList* atoms, gdouble symprec); 11 SpglibDataset* crystalloGetDataSet(GList* atoms, gdouble symprec); 12 SpglibDataset* standardizeFromDataSetSPG(Crystal* crystal, gdouble symprec); 13 14 #endif 15