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Expand asymmetric unit and anisotropic thermal displacement
Data members:
spacegroup -- instance of SpaceGroup
corepos -- list of positions in asymmetric unit,
it may contain duplicates
coreUijs -- thermal factors for corepos (defaults to zeros)
sgoffset -- optional offset of space group origin [0, 0, 0]
eps -- cutoff for equivalent positions
Calculated data members:
multiplicity -- multiplicity of each site in corepos
Uisotropy -- bool flags for isotropic sites in corepos
expandedpos -- list of equivalent positions per each site in corepos
expandedUijs -- list of thermal factors per each site in corepos
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Initialize and calculate instance of ExpandAsymmetricUnit
spacegroup -- instance of SpaceGroup
corepos -- list of positions in asymmetric unit,
it may contain duplicates
coreUijs -- thermal factors for corepos (defaults to zeros)
sgoffset -- offset of space group origin [0, 0, 0]
eps -- cutoff for duplicate positions
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