Fix data dependency in hamiltonian_elec_update for mxll_coupling_calc
Description
Maxwell terms were being added to the potential after transfer of the potential to GPU (i.e. missing their contribution). This MR rectifies that be adding the maxwell terms to the potential prior to the data transfer to GPU.
Fixes #793 (closed)
Checklist
-
I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Closes #793 (closed)
Edited by Alex Buccheri