CASM
1.1.0
A Clusters Approach to Statistical Mechanics
|
Functions | |
xtal::Coordinate & | apply (const xtal::SymOp &op, xtal::Coordinate &coord) |
apply SymOp to a Coordinate More... | |
xtal::Coordinate | copy_apply (const xtal::SymOp &op, xtal::Coordinate coord) |
Copy and apply SymOp to a Coordinate. More... | |
template<typename ExternSymOp > | |
xtal::Coordinate | copy_apply (const ExternSymOp &op, xtal::Coordinate coord) |
xtal::DoFSet | copy_apply (const xtal::SymOp &op, const xtal::DoFSet &_dof) |
Copy and apply SymOp to a DoFSet. More... | |
xtal::AtomPosition & | apply (const xtal::SymOp &op, xtal::AtomPosition &mutating_atom_pos) |
xtal::AtomPosition | copy_apply (const xtal::SymOp &op, xtal::AtomPosition atom_pos) |
template<typename ExternSymOp > | |
xtal::AtomPosition | copy_apply (const ExternSymOp &op, xtal::AtomPosition atom_pos) |
xtal::Molecule & | apply (const xtal::SymOp &op, xtal::Molecule &mutating_mol) |
xtal::Molecule | copy_apply (const xtal::SymOp &op, xtal::Molecule mol) |
template<typename ExternSymOp > | |
xtal::Molecule | copy_apply (const ExternSymOp &op, xtal::Molecule mol) |
xtal::Site & | apply (const xtal::SymOp &op, xtal::Site &mutating_site) |
Apply SymOp to a Site. Transforms the Coordinate as well as the allowed occupants (Molecules) and other degrees of freedom. More... | |
xtal::Site | copy_apply (const xtal::SymOp &op, xtal::Site site) |
Copy and apply SymOp to a Site. Transforms the Coordinate as well as the allowed occupants (Molecules) and other degrees of freedom. More... | |
xtal::SpeciesAttribute & | apply (const xtal::SymOp &op, xtal::SpeciesAttribute &mutating_attribute) |
xtal::SpeciesAttribute | copy_apply (const xtal::SymOp &op, xtal::SpeciesAttribute attribute) |
template<typename ExternSymOp > | |
xtal::SpeciesAttribute | copy_apply (const ExternSymOp &op, xtal::SpeciesAttribute attribute) |
xtal::Lattice & | apply (const xtal::SymOp &op, xtal::Lattice &lat) |
Apply SymOp to a Lattice. More... | |
xtal::Lattice | copy_apply (const xtal::SymOp &op, xtal::Lattice lat_copy) |
Copy and apply SymOp to a Lattice. More... | |
template<typename ExternSymOp > | |
xtal::Lattice | copy_apply (const ExternSymOp &op, const xtal::Lattice &lat) |
SymGroup | invariant_subgroup (const SymGroup &super_group, const xtal::Lattice &lat) |
Returns the subgroup of the given group that keeps the lattice invariant. More... | |
template<typename OutputIt > | |
OutputIt | invariant_subgroup (const std::vector< SymOp > &super_group, const xtal::Lattice &lat, OutputIt result) |
template<typename Transform , typename Object , typename... Args> | |
Object & | apply (const Transform &transformation, Object &obj, const Args &... args) |
Apply a transformation, in place, return reference to the provided object. More... | |
template<typename Transform , typename Object , typename... Args> | |
Object | copy_apply (const Transform &transformation, Object obj_copy, const Args &... args) |
Copy and apply a transformation, retun a new transformed copy. More... | |
template<> | |
IntegralCluster & | apply (SymOp const &op, IntegralCluster &clust, Structure const &prim) |
template<> | |
xtal::UnitCellCoord | copy_apply< CASM::SymOp, xtal::UnitCellCoord, xtal::Lattice, SymGroupRepID > (const CASM::SymOp &op, xtal::UnitCellCoord copied_ucc, const xtal::Lattice &prim_lattice, const SymGroupRepID &prim_symrep_ID) |
template<> | |
xtal::UnitCellCoord & | apply< CASM::SymOp, xtal::UnitCellCoord, xtal::Lattice, SymGroupRepID > (const CASM::SymOp &op, xtal::UnitCellCoord &mutating_ucc, const xtal::Lattice &prim_lattice, const SymGroupRepID &prim_symrep_ID) |
template<> | |
xtal::UnitCellCoord | copy_apply< CASM::SymOp, xtal::UnitCellCoord, Structure > (const CASM::SymOp &op, xtal::UnitCellCoord copied_ucc, const Structure &prim) |
template<> | |
xtal::UnitCellCoord & | apply< CASM::SymOp, xtal::UnitCellCoord, Structure > (const CASM::SymOp &op, xtal::UnitCellCoord &mutating_ucc, const Structure &prim) |
template<> | |
xtal::Coordinate & | apply< CASM::SymOp, xtal::Coordinate > (const CASM::SymOp &op, xtal::Coordinate &mutating_coord) |
Object& CASM::sym::apply | ( | const Transform & | transformation, |
Object & | obj, | ||
const Args &... | args | ||
) |
Apply a transformation, in place, return reference to the provided object.
xtal::Coordinate & CASM::sym::apply | ( | const xtal::SymOp & | op, |
xtal::Coordinate & | coord | ||
) |
apply SymOp to a Coordinate
Definition at line 347 of file Coordinate.cc.
xtal::Lattice & CASM::sym::apply | ( | const xtal::SymOp & | op, |
xtal::Lattice & | lat | ||
) |
Apply SymOp to a Lattice.
Definition at line 75 of file SymTools.cc.
xtal::Site & CASM::sym::apply | ( | const xtal::SymOp & | op, |
xtal::Site & | mutating_site | ||
) |
xtal::SpeciesAttribute & CASM::sym::apply | ( | const xtal::SymOp & | op, |
xtal::SpeciesAttribute & | mutating_attribute | ||
) |
Definition at line 20 of file SpeciesAttribute.cc.
IntegralCluster& CASM::sym::apply | ( | SymOp const & | op, |
IntegralCluster & | clust, | ||
Structure const & | prim | ||
) |
Apply SymOp to IntegralCluster
Specialization of template from casm/symmetry/Symtools.hh: template <typename Transform, typename Object, typename... Args> Object &apply(const Transform &transformation, Object &obj, const Args &... args);
Definition at line 49 of file IntegralCluster.cc.
xtal::Coordinate& CASM::sym::apply< CASM::SymOp, xtal::Coordinate > | ( | const CASM::SymOp & | op, |
xtal::Coordinate & | mutating_coord | ||
) |
Definition at line 92 of file SymTools.cc.
xtal::UnitCellCoord& CASM::sym::apply< CASM::SymOp, xtal::UnitCellCoord, Structure > | ( | const CASM::SymOp & | op, |
xtal::UnitCellCoord & | mutating_ucc, | ||
const Structure & | prim | ||
) |
Definition at line 82 of file SymTools.cc.
xtal::UnitCellCoord& CASM::sym::apply< CASM::SymOp, xtal::UnitCellCoord, xtal::Lattice, SymGroupRepID > | ( | const CASM::SymOp & | op, |
xtal::UnitCellCoord & | mutating_ucc, | ||
const xtal::Lattice & | prim_lattice, | ||
const SymGroupRepID & | prim_symrep_ID | ||
) |
Definition at line 61 of file SymTools.cc.
xtal::Lattice CASM::sym::copy_apply | ( | const ExternSymOp & | op, |
const xtal::Lattice & | lat | ||
) |
Definition at line 24 of file SymTools.hh.
xtal::Coordinate CASM::sym::copy_apply | ( | const ExternSymOp & | op, |
xtal::Coordinate | coord | ||
) |
Definition at line 583 of file Coordinate.hh.
xtal::SpeciesAttribute CASM::sym::copy_apply | ( | const ExternSymOp & | op, |
xtal::SpeciesAttribute | attribute | ||
) |
Definition at line 71 of file SpeciesAttribute.hh.
Object CASM::sym::copy_apply | ( | const Transform & | transformation, |
Object | obj_copy, | ||
const Args &... | args | ||
) |
Copy and apply a transformation, retun a new transformed copy.
Definition at line 35 of file SymTools.hh.
xtal::DoFSet CASM::sym::copy_apply | ( | const xtal::SymOp & | op, |
const xtal::DoFSet & | _dof | ||
) |
xtal::Coordinate CASM::sym::copy_apply | ( | const xtal::SymOp & | op, |
xtal::Coordinate | coord | ||
) |
Copy and apply SymOp to a Coordinate.
Definition at line 354 of file Coordinate.cc.
xtal::Lattice CASM::sym::copy_apply | ( | const xtal::SymOp & | op, |
xtal::Lattice | lat_copy | ||
) |
Copy and apply SymOp to a Lattice.
Definition at line 80 of file SymTools.cc.
xtal::Site CASM::sym::copy_apply | ( | const xtal::SymOp & | op, |
xtal::Site | site | ||
) |
xtal::SpeciesAttribute CASM::sym::copy_apply | ( | const xtal::SymOp & | op, |
xtal::SpeciesAttribute | attribute | ||
) |
Definition at line 30 of file SpeciesAttribute.cc.
xtal::UnitCellCoord CASM::sym::copy_apply< CASM::SymOp, xtal::UnitCellCoord, Structure > | ( | const CASM::SymOp & | op, |
xtal::UnitCellCoord | copied_ucc, | ||
const Structure & | prim | ||
) |
Definition at line 73 of file SymTools.cc.
xtal::UnitCellCoord CASM::sym::copy_apply< CASM::SymOp, xtal::UnitCellCoord, xtal::Lattice, SymGroupRepID > | ( | const CASM::SymOp & | op, |
xtal::UnitCellCoord | copied_ucc, | ||
const xtal::Lattice & | prim_lattice, | ||
const SymGroupRepID & | prim_symrep_ID | ||
) |
Definition at line 42 of file SymTools.cc.
OutputIt CASM::sym::invariant_subgroup | ( | const std::vector< SymOp > & | super_group, |
const xtal::Lattice & | lat, | ||
OutputIt | result | ||
) |
Definition at line 11 of file SymTools_impl.hh.
SymGroup CASM::sym::invariant_subgroup | ( | const SymGroup & | super_group, |
const xtal::Lattice & | lat | ||
) |
Returns the subgroup of the given group that keeps the lattice invariant.
Definition at line 34 of file SymTools.cc.