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m-a-d-n-e-s-s · Mar 28, 2024 · 8127e3e · 8127e3e
1 parent 72281d9
commit 8127e3e
Showing 1 changed file with 5 additions and 5 deletions.
diff --git 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<MolecularVolumeMask>(sigma, atomic_radii, atomic_coords);
-    auto gradx_functor = std::make_shared<MolecularVolumeMaskGrad>(sigma, atomic_radii, atomic_coords, 0);
-    auto grady_functor = std::make_shared<MolecularVolumeMaskGrad>(sigma, atomic_radii, atomic_coords, 1);
-    auto gradz_functor = std::make_shared<MolecularVolumeMaskGrad>(sigma, atomic_radii, atomic_coords, 2);
-    auto surface_functor = std::make_shared<MolecularSurface>(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));