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update docs
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hsulab committed Jul 9, 2024
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Expand Up @@ -53,6 +53,7 @@ more concentrated.
composition:
Cu: 13
H2O: 3
# pbc: True # Set this to True if periodic structures are desired.
cell: [30., 0., 0., 0., 30., 0., 0., 0., 30.]
region:
method: lattice
Expand All @@ -62,6 +63,12 @@ more concentrated.
test_too_far: false
random_seed: 1112
.. note::

The structures generated by `random_cluster` are not periodic (pbc=False) by default.
This may fail the following calculations as some codes do not support non-periodic structures.
Thus, set `pbc: True` to make generated structures periodic.

Surface
-------

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