def update_pseudo_potential(self, density):
ret = RealSpaceHamiltonian.update_pseudo_potential(self, density)
if not self.cavity.depends_on_el_density:
return ret
del_g_del_n_g = self.cavity.del_g_del_n_g
# XXX optimize numerics
del_eps_del_g_g = self.dielectric.del_eps_del_g_g
Veps = -1. / (8. * np.pi) * del_eps_del_g_g * del_g_del_n_g
Veps *= self.grad_squared(self.vHt_g)
for vt_g in self.vt_sg:
vt_g += Veps
return ret
