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Update docstring
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kavanase committed Dec 12, 2024
1 parent eab74a5 commit b2d4eb5
Showing 1 changed file with 6 additions and 4 deletions.
10 changes: 6 additions & 4 deletions doped/generation.py
Original file line number Diff line number Diff line change
Expand Up @@ -1310,10 +1310,12 @@ def __init__(
or ``force_diagonal`` (default = False)).
interstitial_gen_kwargs (dict, bool):
Keyword arguments to be passed to ``get_Voronoi_interstitial_sites``
(such as ``min_dist``, ``clustering_tol``, ``symmetry_preference``,
``stol``, ``tight_stol`` and ``symprec`` -- see its docstring), or
``InterstitialGenerator`` if ``interstitial_coords`` is specified.
If set to ``False``, interstitial generation will be skipped entirely.
(such as ``min_dist`` (0.9 Å), ``clustering_tol`` (0.55 Å),
``symmetry_preference`` (0.1 Å), ``stol`` (0.32), ``tight_stol`` (0.02)
and ``symprec`` (0.01) -- see its docstring, parentheses indicate
default values), or ``InterstitialGenerator`` if ``interstitial_coords``
is specified. If set to ``False``, interstitial generation will be
skipped entirely.
target_frac_coords (list):
Defects are placed at the closest equivalent site to these fractional
coordinates in the generated supercells. Default is [0.5, 0.5, 0.5]
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