es_finder
Full name: ase2sprkkr.bindings.es_finder
Module class hierarchy
![Inheritance diagram of ase2sprkkr.bindings.es_finder.EmptySpheresResult](../_images/inheritance-32482785c1d8e87f03d0379e05e5a172959b3ed1.png)
Description
Binding for the es_finder package, that can determine the ideal positions of empty spheres to fill the gaps in the primitive cell.
Functions
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Update the structure of the (SPRKKR) ASE atoms, adding the empty spheres and updating the shpheres radii of the atomic sites, according to an |
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Compute the best coverage of the primitive cell with spheres. |
Classes
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