CASM
1.1.0
A Clusters Approach to Statistical Mechanics
CASM::xtal::Molecule Member List
This is the complete list of members for
CASM::xtal::Molecule
, including all inherited members.
atom
(Index i) const
CASM::xtal::Molecule
inline
atoms
() const
CASM::xtal::Molecule
inline
attributes
() const
CASM::xtal::Molecule
inline
contains
(std::string const &atom_name) const
CASM::xtal::Molecule
identical
(Molecule const &RHS, double _tol) const
CASM::xtal::Molecule
is_atomic
() const
CASM::xtal::Molecule
is_divisible
() const
CASM::xtal::Molecule
inline
is_indivisible
() const
CASM::xtal::Molecule
inline
is_vacancy
() const
CASM::xtal::Molecule
m_atoms
CASM::xtal::Molecule
private
m_attribute_map
CASM::xtal::Molecule
private
m_divisible
CASM::xtal::Molecule
private
m_name
CASM::xtal::Molecule
private
make_atom
(std::string const &atom_name)
CASM::xtal::Molecule
static
make_unknown
()
CASM::xtal::Molecule
inline
static
make_vacancy
()
CASM::xtal::Molecule
static
Molecule
(std::string const &_name, std::vector< AtomPosition > _atoms={}, bool _divisible=false)
CASM::xtal::Molecule
inline
name
() const
CASM::xtal::Molecule
inline
set_atoms
(std::vector< AtomPosition > _atoms)
CASM::xtal::Molecule
inline
set_attributes
(std::map< std::string, SpeciesAttribute > _attr)
CASM::xtal::Molecule
inline
size
() const
CASM::xtal::Molecule
inline
time_reversal_active
() const
CASM::xtal::Molecule
inline
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