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f nmd
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arc/checks/nmd.py

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@@ -9,7 +9,6 @@
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import qcelemental as qcel
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import arc.rmgdb as rmgdb
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from arc import parser
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from arc.common import get_logger
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from arc.species.converter import get_most_common_isotope_for_element, xyz_from_data, xyz_to_np_array
@@ -47,8 +46,6 @@ def analyze_ts_normal_mode_displacement(reaction: 'ARCReaction',
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"""
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if job is None:
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return None
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if reaction.family is None:
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rmgdb.determine_family(reaction)
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ts_xyz = reaction.ts_species.get_xyz()
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try:

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