MeshInformationSection
- class ase2sprkkr.potentials.definitions.sections.mesh_information.MeshInformationSection(definition, container=None)[source]
Class hierarchy
Constructor
- __init__(definition, container=None)
Create the container and its members, according to the definition
- _value_name: str = 'meshes'
The name of the property of write_io_data to store the list of data
- _value_class
alias of
ExponentialMesh
- _set_from_atoms(atoms, write_io_data)[source]
Set the values of the section from the write_io_data.
- Parameters:
atoms (SPRKKRAtoms)
write_io_data (WriteIoData)
- _update_atoms(atoms, read_io_data)[source]
Update a ReadIoData object accordingly the data in the section: set its _value_name to list of self_value_class.from_tuple(<data>)
- Parameters:
atoms (SPRKKRAtoms)
read_io_data (ReadIoData)