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[eos/base.git] / src / Objects / General / Crystal / inc / Crystal.h

diff --git a/src/Objects/General/Crystal/inc/Crystal.h b/src/Objects/General/Crystal/inc/Crystal.h
index 9cfae5f..723ea3b 100755 (executable)
--- a/src/Objects/General/Crystal/inc/Crystal.h
+++ b/src/Objects/General/Crystal/inc/Crystal.h
@@ -69,7 +69,12 @@ typedef struct CrystalInfo {
        CrystalParaTypeIntegerAxis  N;             /* Number of Unit Cells a, b, c-axis */
        CrystalParaTypeIntegerAxis  StartN;        /* Start  of Unit Cells a, b, c-axis */
        CrystalSpaceGroup           SpaceGroup;
-       
+
+    /* Reciprocal Space */
+       CrystalParaTypeRealCoord    aReciprocalAxis;
+       CrystalParaTypeRealCoord    bReciprocalAxis;
+       CrystalParaTypeRealCoord    cReciprocalAxis;
+
        /* Information for Special Symmetry */
        HelicalSymmetryInfo HelixInfo;
                /* For HelicalSymmetry : 
@@ -99,6 +104,9 @@ extern void crystalAxisSet(CrystalInfo* C, char axis, CrystalParaTypeReal x, Cry
 extern void crystalCellLengthSetUsingAxis(CrystalInfo* C, char axis, int mode);
 extern void crystalAxisSetUsingCellLength(CrystalInfo* C, char axis, int mode);
 
+extern double crystalInfoGetLatticeVolume(CrystalInfo* linfo, int mode);
+extern void crystalInfoGetReciprocalLattice(CrystalInfo* linfo, int mode);
+
 #ifdef __cplusplus
        };      
 #endif