httk.atomistic.representativesites module¶
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class
httk.atomistic.representativesites.
RepresentativeSites
(reduced_coordgroups=None, cartesian_coordgroups=None, reduced_coords=None, cartesian_coords=None, counts=None, hall_symbol=None, pbc=None, wyckoff_symbols=None, multiplicities=None)[source]¶ Bases:
httk.atomistic.sites.Sites
Represents any collection of sites in a unitcell
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anonymous_wyckoff_sequence
¶
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classmethod
create
(sites=None, reduced_coordgroups=None, reduced_coords=None, counts=None, spacegroup=None, hall_symbol=None, spacegroupnumber=None, setting=None, periodicity=None, wyckoff_symbols=None, multiplicities=None, occupancies=None, pbc=None)[source]¶ Create a new sites object
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crystal_system
¶
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lattice_symbol
¶
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lattice_system
¶
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total_number_of_atoms
¶
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wyckoff_sequence
¶
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