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Minor change to kkrflex_rimpshift docstring
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PhilippRue committed Nov 22, 2023
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1 change: 1 addition & 0 deletions aiida_kkr/calculations/kkrimp.py
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Expand Up @@ -183,6 +183,7 @@ def define(cls, spec):
The Dict node should be of the form
rimpshift = Dict({'shifts': [[0., 0., 0.], ... ]})
where the shifts are given in atomic units (i.e. the internal KKR units).
Note: The length of the 'shifts' attribute should be an array with three numbers indicating the shift for each atom in the impurity cluster.
"""
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