1 #ifndef CASM_LatticeIsEquivalent
2 #define CASM_LatticeIsEquivalent
4 #include "casm/external/Eigen/Dense"
31 bool operator()(
const Eigen::Matrix3i &tfrac_op)
const;
SymOp sym_op() const
Return the SymOp, constructed from the map_error and cart_op stored after performing an equivalence c...
bool operator()(const Lattice &B) const
Is this lattice the same, even if they have different lattice vectors.
Putting all the Lattice comparisons in one place.
SymOp is the Coordinate representation of a symmetry operation it keeps fraction (FRAC) and Cartesian...
const Lattice & lat() const
const Eigen::Matrix3d & lat_column_mat() const
LatticeIsEquivalent(const Lattice &lat, double _tol=TOL)
bool _check(const Eigen::Matrix3d &tfrac_op) const
Find the effect of applying symmetry to the lattice vectors.
double map_error() const
Return the mapping error, calculated after performing an equivalence check.
Eigen::Matrix3d m_cart_op
const Eigen::Matrix3d & inv_lat_column_mat() const
Eigen::Matrix3d cart_op() const
Return the cartesian SymOp matrix, stored after performing an equivalence check.