ith the atoms with respect to which the derivatives</span>
<span class="sd">                are calculated against. If False, centers defined as atomic</span>
<span class="sd">                indices will be converted into cartesian locations that are</span>
<span class="sd">                completely independent of the atom location during derivative</span>
<span class="sd">                calculation.</span>
<span class="sd">            return_descriptor (bool): Whether to also calculate the descriptor</s