Interactions (pengwann.interactions)#
Data structures representing interactions between atoms and Wannier functions.
This module contains several dataclasses/namedtuples that serve to store data relating
to interactions between atoms and Wannier functions. It is generally expected that each
of these data structures will be initialised with solely the data required to specify
which atoms or Wannier functions are interacting, the remaining fields will usually be
set by functions and methods in the descriptors module.
Classes#
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Data structure for storing multiple AtomicInteraction objects. |
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Data structure regarding the interaction between two atoms. |
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Stores data regarding the interaction between two Wannier functions. |