WriteIoData

class ase2sprkkr.sprkkr.io_data.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. So the lists are created on demand and cached for its further use.

Class hierarchy

Constructor

__init__(atoms)

property sites

property types

property reference_systems

property meshes