d as</span>
<span class="sd">                atomic indices. If True, the centers tied to an atomic index will</span>
<span class="sd">                move together with 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 der