increase vtk plot size

m-a-d-n-e-s-s · Dec 5, 2023 · 17d4d87 · 17d4d87
1 parent 340f0f0
commit 17d4d87
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/src/apps/molresponse/Plot_VTK.cc b/src/apps/molresponse/Plot_VTK.cc
@@ -157,7 +157,7 @@ namespace madness {
     void do_response_density_vtk_plots_new(World &world, int npt_plot, double L, const Molecule &molecule,
                                            const real_function_3d &ground_density,
                                            const vector_real_function_3d &response_density) {
-        double box_size = L / 2;
+        double box_size = L ;
         Vector<double, 3> box_lo{-box_size, -box_size, -box_size};
         Vector<double, 3> box_hi{box_size, box_size, box_size};
 

diff --git a/src/apps/molresponse/ResponseBase.cpp b/src/apps/molresponse/ResponseBase.cpp
@@ -1377,7 +1377,7 @@ void ResponseBase::write_vtk(World &world) {
 #endif
 #if defined(MADCHEM_HAS_STD_FILESYSTEM)
     auto r_matrix = to_response_matrix(Chi);
-    do_response_orbital_vtk_plots(world, r_params.plot_pts(), r_params.L(), molecule, ground_orbitals, r_matrix);
+    //do_response_orbital_vtk_plots(world, r_params.plot_pts(), r_params.L(), molecule, ground_orbitals, r_matrix);
     do_response_density_vtk_plots_new(world, r_params.plot_pts(), r_params.L(), molecule, ground_density,
                                       response_densities);
 #endif