Dipolar interactions

Method In Bulk

Dipolar Ewald Summation (DES) is implemented to handle dipolar interactions in 3D periodicity.

Slab Correction

In 2D periodicity, Dipolar Layer Correction (DLC) is implemented. In Abstract_visit_translation, Abstract_visit_rotation, Abstract_visit_exchange and Abstract_visit_switch the same pattern is used for the difference of energy: \[ \Delta U = \sum_{\vec{k}_{1:2}} w(\vec{k}_{1:2}) \Re\left[ S_+(\vec{k}_{1:2}) \Delta S_-^\ast(\vec{k}_{1:2}) + S_-^\ast(\vec{k}_{1:2}) \Delta S_+(\vec{k}_{1:2}) + \Delta S_+(\vec{k}_{1:2}) \Delta S_-^\ast(\vec{k}_{1:2}) \right]. \]