perturbopy.generate_input.generate_input

Functions

create_arg_namespace

Function that returns a dictionary with all the calculation parameters.

get_description

Return description without the formating symbols :param description: description of the calculation parameter :type description: str

input_generation

Function that write the calculation to the input file

set_default

Define the default value for the provided calculation parameter

write_parameter_to_input

Function that write the calculation to the input file