httk.atomistic.spacegrouputils module¶
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httk.atomistic.spacegrouputils.
spacegroup_filter_specific
(hall=None, hm=None, itcnbr=None, setting=None, symops=None, halls=None)[source]¶
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httk.atomistic.spacegrouputils.
trivial_symmetry_reduce
(coordgroups)[source]¶ Looks for ‘trivial’ ways to reduce the coordinates in the given coordgroups by a standard set of symmetry operations. This is not a symmetry finder (and it is not intended to be), but for a standard primitive cell taken from a standard conventional cell, it reverses the primitive unit cell coordgroups into the symmetry reduced coordgroups.