perturbopy.generate_input.generate_input.input_generation

perturbopy.generate_input.generate_input.input_generation()

Function that write the calculation to the input file

Parameters:

• finput (_io.TextIOWrapper) – variable, which corresponds to the input file

• param (str) – name of the input parameter

• executable (str) – name of the executable module (‘perturbo’ or ‘qe2pert’)

• args (argparse.Namespace) – in dictionary of this variable saved all names of calculation parameters and provided values

• param_data (dict) – dictionary with all arguments, their description and type

• optional (bool) – optional of mandatory parameter for the calculation

Return type:

None