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User Guide
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API reference
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Example of wulfric's capabilities

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Submodules

wulfric.cell
wulfric.crystal
wulfric.kpoints
wulfric.constants
wulfric.io
wulfric.geometry

Classes

wulfric.Kpoints
wulfric.PlotlyEngine
wulfric.SyntacticSugar

Top level functions

wulfric.compare_with_tolerance
wulfric.add_sugar
wulfric.remove_sugar
wulfric.logo

Spglib interface

wulfric.SpglibData
wulfric.get_spglib_data
wulfric.get_spglib_types
wulfric.validate_spglib_data

Unit tests

wulfric.test

Exceptions

wulfric.ConventionNotSupported
wulfric.FailedToDeduceAtomSpecies
wulfric.NiggliReductionFailed
wulfric.PotentialBugError

Legacy code

wulfric.lepage

API reference
wulfric.SpglibData
wulfric.SpglibData.original_positions

wulfric.SpglibData.original_positions#

attribute

SpglibData.original_positions: ndarray#: Same as the given atoms["positions"].

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SpglibData.original_positions

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