def set_grid_descriptor(self, gd): if self.gd is not None and self.gd != gd: raise NotImplementedError('Cannot switch grids') if self.libvdwxc is None: self._initialize(gd) XCFunctional.set_grid_descriptor(self, gd) self.semilocal_xc.set_grid_descriptor(gd)
def set_grid_descriptor(self, gd): XCFunctional.set_grid_descriptor(self, gd) self.semilocal_xc.set_grid_descriptor(gd)
def set_grid_descriptor(self, gd): self.grad_v = get_gradient_ops(gd, self.stencil) XCFunctional.set_grid_descriptor(self, gd)