Source code for neml2.types.miller_index

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"""MillerIndex — a crystallographic direction or plane (h, k, l).

Base shape ``(3,)``. Mirrors ``include/neml2/tensors/MillerIndex.h``. The
stored components are the raw Miller indices (e.g. ``(1, 1, 0)`` for the
``[110]`` direction); conversion to a Cartesian lattice vector requires the
``CrystalGeometry`` lattice vectors and lives in :mod:`functions`.

The C++ class has no methods of its own — this Python wrapper is similarly
a pure labelled container, distinguished from a raw ``Vec`` only by type so
``[Tensors] type = Python`` expressions can spell ``MillerIndex(...)`` and
the eval namespace dispatches correctly. Stored as floating-point even
though the indices are integers — this matches the C++ side, which keeps
the storage in the model's default dtype to participate in autograd-friendly
expressions downstream.
"""

from __future__ import annotations

from dataclasses import dataclass
from typing import ClassVar

import torch

from neml2.types._primitive import PrimitiveTensor
from neml2.types._pytree import register


[docs] @dataclass(frozen=True, eq=False) class MillerIndex(PrimitiveTensor): """Wraps a `torch.Tensor` of shape ``(..., 3)`` carrying Miller indices. Inherits all arithmetic and ``zeros``/``ones``/``full``/``empty``/``fill`` factories from :class:`PrimitiveTensor`. No class-specific overrides — the C++ analogue has the same minimal surface. """ data: torch.Tensor sub_batch_ndim: int = 0 sub_batch_state: tuple = () sub_batch_meta: tuple = () k_ndim: int = 0 k_state: tuple = () k_pairing: tuple = () BASE_NDIM: ClassVar[int] = 1 BASE_SHAPE: ClassVar[tuple[int, ...]] = (3,)
register(MillerIndex)