CASM
AClustersApproachtoStatisticalMechanics
|
#include <SymInfo.hh>
Simple struct to be used as return type for SymOp::info().
Definition at line 35 of file SymInfo.hh.
Public Member Functions | |
SymInfo (const SymOp &op, const Lattice &lat) | |
Public Attributes | |
symmetry_type | op_type |
Coordinate | axis |
double | angle |
Coordinate | screw_glide_shift |
Coordinate | location |
A Cartesian coordinate that is invariant to the operation (if one exists) More... | |
Private Types | |
typedef SymOp::vector_type | vector_type |
typedef SymOp::matrix_type | matrix_type |
Private Member Functions | |
void | _set (const vector_type &_axis, const vector_type &_screw_glide_shift, const vector_type &_location, const Lattice &lat) |
|
private |
Definition at line 65 of file SymInfo.hh.
|
private |
Definition at line 64 of file SymInfo.hh.
|
private |
double CASM::SymInfo::angle |
Rotation angle, if operation S is rotation/screw operation If improper operation, rotation angle of inversion*S
Definition at line 52 of file SymInfo.hh.
Coordinate CASM::SymInfo::axis |
Rotation axis if operation S is rotation/screw operation If improper operation, rotation axis of inversion*S (implying that axis is normal vector for a mirror plane) normalized to length 1 axis is zero if operation is identity or inversion
Definition at line 48 of file SymInfo.hh.
Coordinate CASM::SymInfo::location |
A Cartesian coordinate that is invariant to the operation (if one exists)
Definition at line 59 of file SymInfo.hh.
symmetry_type CASM::SymInfo::op_type |
One of: identity_op, mirror_op, glide_op, rotation_op, screw_op, inversion_op, rotoinversion_op, or invalid_op
Definition at line 41 of file SymInfo.hh.
Coordinate CASM::SymInfo::screw_glide_shift |
Component of tau parallel to 'axis' (for rotation) or perpendicular to 'axis', for mirror operation
Definition at line 56 of file SymInfo.hh.