SpaceGroupOp Struct Reference

Space group operation r -> rot * r + a in real-space lattice coordinates. More...

#include <matrix3.h>

Public Member Functions
	SpaceGroupOp (matrix3< int > rot=matrix3< int >(1, 1, 1), vector3<> a=vector3<>(0, 0, 0))
vector3	applyReal (const vector3<> &r) const
	apply to real-space vector
vector3	applyRecip (const vector3<> &k) const
	apply to reciprocial-space vector (translation phase must be handled separately)
SpaceGroupOp	operator* (const SpaceGroupOp &op) const
	Compose two space group operations.
SpaceGroupOp	inv () const
	Invert space group operation.

Public Attributes
matrix3< int >	rot
	rotation matrix in covariant lattice coordinates
vector3	a
	translation in covariant lattice coordinates

Detailed Description

Space group operation r -> rot * r + a in real-space lattice coordinates.

---

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

• core/matrix3.h