neml2::crystallography Namespace Reference

Namespaces
namespace	crystal_symmetry_operators

Classes
class	CrystalGeometry
	Defines the geometry of a crystal system This includes a basic definition of the crystal lattice, via Bravais vectors and a CrystalClass object defining the crystal symmetry as well as the definition of the geometry of each slip system. More...
class	CubicCrystal
	Specialized crystal geometry for cubic crystals. More...
class	FillMillerIndex
	Create a single-batched "list" of Miller indices. More...
class	SymmetryFromOrbifold
	Provide the correct symmetry operators for a given crystal class. More...

Functions
	register_NEML2_object (CrystalGeometry)
R2	symmetry_operations_from_orbifold (std::string orbifold, const torch::TensorOptions &options=default_tensor_options())
	Helper function to return the symmetry operators given the Orbifold notation.
Vec	unique_bidirectional (const R2 &ops, const Vec &inp)
	Helper to return all symmetrically-equivalent directions from a cartesian vector.
	register_NEML2_object (CubicCrystal)
	register_NEML2_object (FillMillerIndex)
	register_NEML2_object (SymmetryFromOrbifold)

Function Documentation

register_NEML2_object() [1/4]

register_NEML2_object

(

CrystalGeometry

)

register_NEML2_object() [2/4]

register_NEML2_object

(

CubicCrystal

)

register_NEML2_object() [3/4]

register_NEML2_object

(

FillMillerIndex

)

register_NEML2_object() [4/4]

register_NEML2_object

(

SymmetryFromOrbifold

)

symmetry_operations_from_orbifold()

R2 symmetry_operations_from_orbifold	(	std::string	orbifold,
		const torch::TensorOptions &	options )

Helper function to return the symmetry operators given the Orbifold notation.

unique_bidirectional()

Vec unique_bidirectional	(	const R2 &	ops,
		const Vec &	inp )

Helper to return all symmetrically-equivalent directions from a cartesian vector.