run_quip

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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

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