NEML2 2.0.0
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crystallography.h
1// Copyright 2024, UChicago Argonne, LLC
2// All Rights Reserved
3// Software Name: NEML2 -- the New Engineering material Model Library, version 2
4// By: Argonne National Laboratory
5// OPEN SOURCE LICENSE (MIT)
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23// THE SOFTWARE.
24
25#pragma once
26
27#include "neml2/tensors/R2.h"
28
29namespace neml2
30{
31class R2;
32
33namespace crystallography
34{
36R2 symmetry(const std::string & orbifold, const TensorOptions & options = default_tensor_options());
37
39Vec unique_bidirectional(const R2 & ops, const Vec & inp);
40
41namespace symmetry_operators
42{
43constexpr double a = 0.7071067811865476;
44constexpr double b = 0.8660254037844386;
45constexpr double h = 0.5;
46constexpr double o = 1.0;
47constexpr double z = 0.0;
48
51
54
57} // namespace symmetry_operators
58} // namespace crystallography
59} // namespace neml2
Quaternion.
Definition Quaternion.h:41
constexpr double a
Definition crystallography.h:43
constexpr double o
Definition crystallography.h:46
Quaternion hexagonal(const TensorOptions &options)
hexagonal symmetry operators
Definition crystallography.cxx:53
constexpr double z
Definition crystallography.h:47
constexpr double h
Definition crystallography.h:45
constexpr double b
Definition crystallography.h:44
Quaternion cubic(const TensorOptions &options)
cubic symmetry operators
Definition crystallography.cxx:72
Quaternion tetragonal(const TensorOptions &options)
tetragonal symmetry operators
Definition crystallography.cxx:38
Vec unique_bidirectional(const R2 &ops, const Vec &inp)
Helper to return all symmetrically-equivalent directions from a cartesian vector.
Definition crystallography.cxx:131
R2 symmetry(const std::string &orbifold, const TensorOptions &options)
Helper function to return the symmetry operators given the Orbifold notation.
Definition crystallography.cxx:86
Definition DiagnosticsInterface.cxx:30
TensorOptions default_tensor_options()
Default floating point tensor options.
Definition defaults.cxx:42
c10::TensorOptions TensorOptions
Definition types.h:60