espaloma.data.qcarchive_utils.get_client

espaloma.data.qcarchive_utils.get_client(url: str = 'api.qcarchive.molssi.org') → PortalClient

Returns a instance of the qcportal client.

Parameters:

url (str, default=”api.qcarchive.molssi.org”) – qcportal instance to connect

Returns:

qcportal client instance.

Return type:

qcportal.client.PortalClient