httk.atomistic.sites module¶
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class
httk.atomistic.sites.
Sites
(reduced_coordgroups=None, reduced_coords=None, counts=None, hall_symbol=None, pbc=None)[source]¶ Bases:
httk.core.httkobject.HttkObject
Represents any collection of sites in a unitcell
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anonymous_formula
¶
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coords_groupnumber
¶
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counts
¶
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classmethod
create
(sites=None, reduced_coordgroups=None, reduced_coords=None, counts=None, occupancies=None, spacegroup=None, hall_symbol=None, spacegroupnumber=None, setting=None, pbc=None, periodicity=None)[source]¶ Create a new sites object
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reduced_coordgroups
¶
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reduced_coords
¶
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total_number_of_atoms
¶
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