qcscine/puffin: Release 1.3.0

Abstract

<p>Changes:</p><ul><li>Store found elementary step even if none of the endpoints corresponds to the initial starting structures</li><li>Add restart information with valid TS for jobs trying to find new elementary steps, where the IRC failed to produce different endpoints </li><li>Consider potential surface structures for label determination of new structures </li><li>Logic to transfer indices information and other complex properties from reactants to products </li><li>Save close lying spin multiplicities and allow to manipulate exact spin propensity check behavior with added settings </li><li>Microkinetic modeling with the program Reaction Mechanism Simulator. </li><li>AMS via SCINE AMS Wrapper </li><li>MRCC (release version March 2022) </li><li>Ensure that only_distance_connectivity is adhered in all reaction jobs </li><li>Update address in license</li></ul&gt