PotSectionDefinition
- class ase2sprkkr.potentials.potential_definitions.PotSectionDefinition(*args, mandatory=True, **kwargs)[source]
This class describes the format of one value of a standard potential section
Class hierarchy
Constructor
- Parameters
mandatory (bool) –
- __init__(*args, mandatory=True, **kwargs)[source]
For the documentation of the other parameters, see
ase2sprkkr.common.SectionDefinition()- Parameters
mandatory (bool) – Is the section mandatory? I.e. the potential file is required to contain this sections.
- force_order = True
The order of items in potential file is fixed
- value_name_format = '<12'
The (print) format, how the name is written
- child_class
standard child class
alias of
PotValueDefinition
- static custom_class(name, section)
Adding a custom values is allowed
- delimiter = '\n'
options are delimited by newline in ouptut.
- depends_on()[source]
The order of processing of sections during reading can be different than the order during a write. So, if the function should not be processed before given named sections, name then.
- Returns
prerequisites
- Return type
[ str, str, … ]
- result_class
alias of
PotentialSection