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f spc import
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arc/species/species.py

Lines changed: 4 additions & 1 deletion
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@@ -7,6 +7,7 @@
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import numpy as np
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import os
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from math import isclose
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from typing import TYPE_CHECKING
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import arc.molecule.element as elements
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from arc.common import (SYMBOL_BY_NUMBER,
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parse_polarizability,
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process_conformers_file,
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)
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from arc.reaction import ARCReaction
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from arc.species import conformers
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from arc.species.converter import (check_isomorphism,
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check_xyz_dict,
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from arc.species.perceive import perceive_molecule_from_xyz, is_mol_valid
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from arc.species.vectors import calculate_angle, calculate_distance, calculate_dihedral_angle
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if TYPE_CHECKING:
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from arc.reaction import ARCReaction
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logger = get_logger()
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valid_chars, minimum_barrier = settings['valid_chars'], settings['minimum_barrier']

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