structure
Full name: ase2sprkkr.sprkkr.structure
Module class hierarchy
![Inheritance diagram of ase2sprkkr.sprkkr.structure.AtomData, ase2sprkkr.sprkkr.structure.LayerData](../_images/inheritance-6685b147ad1617d133c98da4976dea87360bdb70.png)
Description
Helper classes for a2s_visualise_in_struct utility.
This file contains function structure_file_to_atoms, which is used for visualisation of a surface structure, using .pot and in_structure.inp files.
TODO: This implementaion can handle only one-purpose reading of the structure file.
Functions
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Read in_structure.inp file (that contains informations about the structure of a surface) and create the ASE atoms object according to the readed data. |
Classes
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A helper object for reading in_structure.inp file |