pwtools.calculators.CalculatorBase

class pwtools.calculators.CalculatorBase[source]

Bases: object

Base class for creating calculators.

Provides methods to automatically dispatch constructor input keywords.

__init__()

Methods

fill_infile_templ()

Replace all placeholders in self.infile_templ.

init_params_from_input(kwds)

Set self.parameters = self.default_parameters and update with input keyword arguments kwds.