Changeset 88e890 for pcp/src/data.h

Timestamp:

Apr 22, 2008, 8:52:36 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

53b5b6

Parents:

90c027

Message:

RealBasisCenter[] is present and initialised.

RealBasisCenter[] is part of Lattice structure (fixed NDIM_NDIM) and initialised during InitLattice() by vector (.5, .5, .5) and MatrixTrafo with RealBasis[].

File:

• pcp/src/data.h (modified) (1 diff)

pcp/src/data.h

@@ -563 +563 @@
   double RealBasis[NDIM_NDIM];  //!< Coefficients of the basis vectors
   double RealBasisSQ[NDIM];     //!< squared Norm of each basis vector
-  //double RealBasisQ[NDIM];     //!< Norm of each basis vector
+  double RealBasisCenter[NDIM]; //!< center of the unit cell ((0.5,0.5,0.5) transformed by RealBasis)
   double InvBasis[NDIM_NDIM];   //!< Matrix-wise inverted basis vectors
   double ReciBasis[NDIM_NDIM];  //!< Coefficients of the transposed(!), inverse basis "matrix" (i.e. reciprocal basis)