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improved documentation on Geometry.scale
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Signed-off-by: Nick Papior <nickpapior@gmail.com>
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zerothi committed Oct 26, 2023
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9 changes: 6 additions & 3 deletions src/sisl/geometry.py
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Expand Up @@ -3154,9 +3154,12 @@ def scale(self, scale,
the scale factor for the new geometry (lattice vectors, coordinates
and the atomic radii are scaled).
what: {"abc", "xyz"}
If three different scale factors are provided, whether each scaling factor
is to be applied on the corresponding lattice vector ("abc") or on the
corresponding cartesian coordinate ("xyz").
abc:
Is applied on the corresponding lattice vector and the fractional coordinates.
xyz:
Is applied only to the atomic coordinates.
If three different scale factors are provided, each will correspond to the
Cartesian direction/lattice vector.
scale_atoms : bool, optional
whether atoms (basis) should be scaled as well.
"""
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