CASM  1.1.0
A Clusters Approach to Statistical Mechanics
SuperlatticeEnumerator.hh File Reference

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Classes

class  CASM::xtal::ScelEnumProps
 Data structure for holding supercell enumeration properties. More...
 
class  CASM::xtal::SuperlatticeIterator
 Iterators used with SuperlatticeEnumerator. More...
 
class  CASM::xtal::SuperlatticeEnumerator
 A fake container of supercell matrices. More...
 

Namespaces

 CASM
 Main CASM namespace.
 
 CASM::xtal
 

Functions

Eigen::Matrix3i CASM::xtal::enforce_min_volume (const Lattice &unit, const Eigen::Matrix3i &T, const SymOpVector &point_grp, Index volume, bool fix_shape=false)
 Return a transformation matrix that ensures a supercell of at least some volume. More...
 
template<typename ExternSymGroupTypeIt >
Eigen::Matrix3i CASM::xtal::enforce_min_volume (ExternSymGroupTypeIt begin, ExternSymGroupTypeIt end, const Lattice &unit, const Eigen::Matrix3i &T, Index volume, bool fix_shape=false)
 
Eigen::Matrix3i CASM::xtal::canonical_hnf (const Eigen::Matrix3i &T, const SymOpVector &effective_pg, const Lattice &ref_lattice)
 Return canonical hermite normal form of the supercell matrix. More...
 
template<typename ExternSymGroupTypeIt >
Eigen::Matrix3i CASM::xtal::canonical_hnf (ExternSymGroupTypeIt begin, ExternSymGroupTypeIt end, const Eigen::Matrix3i &T, const Lattice &ref_lattice)