crystallography.h

// Copyright 2023, UChicago Argonne, LLC
// All Rights Reserved
// Software Name: NEML2 -- the New Engineering material Model Library, version 2
// By: Argonne National Laboratory
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#pragma once
 
#include <torch/torch.h>
#include "neml2/tensors/R2.h"
 
namespace neml2
{
class R2;
namespace crystallography
{
namespace crystal_symmetry_operators
{
constexpr Real a = 0.7071067811865476;
constexpr Real b = 0.8660254037844386;
constexpr Real h = 0.5;
constexpr Real o = 1.0;
constexpr Real z = 0.0;
 
const torch::Tensor tetragonal(const torch::TensorOptions & options = default_tensor_options());
 
const torch::Tensor hexagonal(const torch::TensorOptions & options = default_tensor_options());
 
const torch::Tensor cubic(const torch::TensorOptions & options = default_tensor_options());
} // namespace crystal_symmetry_operators
 
R2
symmetry_operations_from_orbifold(std::string orbifold,
                                  const torch::TensorOptions & options = default_tensor_options());
 
Vec unique_bidirectional(const R2 & ops, const Vec & inp);
 
} // namespace crystallography
} // namespace neml2