run_quip#
- autoplex.fitting.common.utils.run_quip(num_processes_fit, data_path, xml_file, filename, glue_xml=False)[source]#
QUIP runner.
- num_processes_fit: int
number of threads to be used for the run.
- data_path:
Path to the data file.
- filename: str
Name of the output file.
- Parameters:
num_processes_fit (int)
data_path (str)
xml_file (str)
filename (str)
glue_xml (bool)
- Return type:
None