def __init__(self, name, lammps_input, lammps_data=None, data_filename='in.data', user_lammps_settings=None):
    "\n        Implementation of LammpsInputSet that is initialized from a dict\n        settings. It is typically used by other LammpsInputSets for\n        initialization from json or yaml source files.\n\n        Args:\n            name (str): A name for the input set.\n            lammps_input (LammpsInput): The config dictionary to use.\n            lammps_data (LammpsData): LammpsData object\n            data_filename (str): name of the the lammps data file.\n                Note: this will override the value for 'data_file' key in lammps_input\n            user_lammps_settings (dict): User lammps settings. This allows a user\n                to override lammps settings, e.g., setting a different force field\n                or bond type.\n        "
    self.name = name
    self.lines = []
    self.lammps_input = lammps_input
    self.lammps_data = lammps_data
    self.data_filename = data_filename
    self.lammps_input.settings['data_file'] = data_filename
    self.user_lammps_settings = (user_lammps_settings or {})
    self.lammps_input.settings.update(self.user_lammps_settings)
Implementation of LammpsInputSet that is initialized from a dict
settings. It is typically used by other LammpsInputSets for
initialization from json or yaml source files.

Args:
    name (str): A name for the input set.
    lammps_input (LammpsInput): The config dictionary to use.
    lammps_data (LammpsData): LammpsData object
    data_filename (str): name of the the lammps data file.
        Note: this will override the value for 'data_file' key in lammps_input
    user_lammps_settings (dict): User lammps settings. This allows a user
        to override lammps settings, e.g., setting a different force field
        or bond type.
def __init__(self, name, lammps_input, lammps_data=None, data_filename='in.data', user_lammps_settings=None):
    "\n        Implementation of LammpsInputSet that is initialized from a dict\n        settings. It is typically used by other LammpsInputSets for\n        initialization from json or yaml source files.\n\n        Args:\n            name (str): A name for the input set.\n            lammps_input (LammpsInput): The config dictionary to use.\n            lammps_data (LammpsData): LammpsData object\n            data_filename (str): name of the the lammps data file.\n                Note: this will override the value for 'data_file' key in lammps_input\n            user_lammps_settings (dict): User lammps settings. This allows a user\n                to override lammps settings, e.g., setting a different force field\n                or bond type.\n        "
    self.name = name
    self.lines = []
    self.lammps_input = lammps_input
    self.lammps_data = lammps_data
    self.data_filename = data_filename
    self.lammps_input.settings['data_file'] = data_filename
    self.user_lammps_settings = (user_lammps_settings or {})
    self.lammps_input.settings.update(self.user_lammps_settings)