diff --git a/src/examples/dielectric.cc b/src/examples/dielectric.cc index 37415713586..1fbabc76086 100644 --- a/src/examples/dielectric.cc +++ b/src/examples/dielectric.cc @@ -256,11 +256,11 @@ int main(int argc, char **argv) { print("coords", atomic_coords); // Functors for mask related quantities - auto volume_functor = std::make_shared(sigma, atomic_radii, atomic_coords); - auto gradx_functor = std::make_shared(sigma, atomic_radii, atomic_coords, 0); - auto grady_functor = std::make_shared(sigma, atomic_radii, atomic_coords, 1); - auto gradz_functor = std::make_shared(sigma, atomic_radii, atomic_coords, 2); - auto surface_functor = std::make_shared(sigma, atomic_radii, atomic_coords); + auto volume_functor = MolecularVolumeMask(sigma, atomic_radii, atomic_coords); + auto gradx_functor = MolecularVolumeMaskGrad(sigma, atomic_radii, atomic_coords, 0); + auto grady_functor = MolecularVolumeMaskGrad(sigma, atomic_radii, atomic_coords, 1); + auto gradz_functor = MolecularVolumeMaskGrad(sigma, atomic_radii, atomic_coords, 2); + auto surface_functor = MolecularSurface(sigma, atomic_radii, atomic_coords); // Make the actual functions TIME("make volume ", real_function_3d volume = real_factory_3d(world).functor(volume_functor));