neml2::crystallography Namespace Reference

Namespaces
namespace	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...

Functions
	register_NEML2_object (CrystalGeometry)
	register_NEML2_object (CubicCrystal)
R2	symmetry (const std::string &orbifold, const 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.
Scalar	misorientation (const Rot &r1, const Rot &r2, const std::string &orbifold="1")
	Calculate the misorientation of two batches of rotations.
Rot	move_to_fundamental_zone (const Rot &r, const std::string &orbifold, const Rot &ref=Rot::fill(0, 0, 0.005))
	Move a collection of orientations to a fundemental zone defined by the crystal symmetry.

Function Documentation

misorientation()

Scalar misorientation	(	const Rot &	r1,
		const Rot &	r2,
		const std::string &	orbifold )

Calculate the misorientation of two batches of rotations.

move_to_fundamental_zone()

Rot move_to_fundamental_zone	(	const Rot &	r,
		const std::string &	orbifold,
		const Rot &	ref )

Move a collection of orientations to a fundemental zone defined by the crystal symmetry.

register_NEML2_object() [1/2]

register_NEML2_object

(

CrystalGeometry

)

register_NEML2_object() [2/2]

register_NEML2_object

(

CubicCrystal

)

symmetry()

R2 symmetry	(	const std::string &	orbifold,
		const 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.