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1 change: 0 additions & 1 deletion docs/conf.py
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# -*- coding: utf-8 -*-
#
# pyCMW documentation build configuration file, created by
# sphinx-quickstart on Mon Sep 01 21:59:30 2014.
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2 changes: 2 additions & 0 deletions sphinx_parser/ase.py
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from __future__ import annotations

from typing import Optional

import numpy as np
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def get_structure_group(
structure: Atoms, use_symmetry: bool = True
) -> tuple[dict, Optional[list]]:

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"""
create a SPHInX Group object based on structure

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2 changes: 2 additions & 0 deletions sphinx_parser/input.py
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from __future__ import annotations

from typing import Annotated, Optional

import numpy as np
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@units
def sphinx(
structure: Optional[dict] = None,

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basis: Optional[dict] = None,

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pawPot: Optional[dict] = None,

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PAWHamiltonian: Optional[dict] = None,

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spinConstraint: Optional[dict] = None,

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initialGuess: Optional[dict] = None,

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pseudoPot: Optional[dict] = None,

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PWHamiltonian: Optional[dict] = None,

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main: Optional[dict] = None,

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wrap_string: bool = True,
):
"""
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