perturbopy.generate_input.generate_input.write_parameter_to_input

perturbopy.generate_input.generate_input.write_parameter_to_input(finput, param, executable, args, param_data, optional=False)

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