run_aims_socket¶

atomate2.aims.run.run_aims_socket(structures_to_calculate, aims_cmd=None)[source]¶

Use the ASE interface to run FHI-aims from the socket.

Parameters:

structures_to_calculate (list[Structure or Molecule]) – The list of structures to run scf calculations on
aims_cmd (str) – The aims command to use (defaults to SETTINGS.AIMS_CMD).

Return type:

None