io_data

Full name: ase2sprkkr.sprkkr.io_data

Module class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.io_data.BaseIoData, ase2sprkkr.sprkkr.io_data.ReadIoData, ase2sprkkr.sprkkr.io_data.WriteIoData

Description

IoData classes serves are intermediate object used as storage during reading or writing of potential/input_parameters files.

Functions

unique_mapping(fce)

Create function (with a cached result), that returns UniqueValuesMapping from a given iterator

Classes

BaseIoData

Base class for object used during reading/writing.

ReadIoData()

Object to store data during reading of a potential file.

WriteIoData(atoms)

During writing of potential file, some lists are needed in more sections, typically one section contains the list itself, while another(s) reference(s) the items of the list.