Whether and how to add to the external potential the potential generated by the classical charges read from block PDBClassical, for QM/MM calculations. Not available in periodic systems.
No classical charges.
Classical charges are treated as point charges.
Classical charges are treated as Gaussian distributions.
Smearing widths are hard-coded by species (experimental).
hamiltonian/epot.F90 : 197
call parse_variable(namespace, 'ClassicalPotential', 0, ep%classical_pot)