reduce the box size and number of points

m-a-d-n-e-s-s · Sep 20, 2023 · 5cf4157 · 5cf4157
1 parent 8d48182
commit 5cf4157
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/src/apps/molresponse/Plot_VTK.cc b/src/apps/molresponse/Plot_VTK.cc
@@ -57,8 +57,8 @@ namespace madness {
                                        const response_matrix &responseMatrix) {
         // Stuff needed to plot
         //
-        Vector<double, 3> box_lo{-L / 4, -L / 4, -L / 4};
-        Vector<double, 3> box_hi{L / 4, L / 4, L / 4};
+        Vector<double, 3> box_lo{-L / 10, -L / 10, -L / 10};
+        Vector<double, 3> box_hi{L / 10, L / 10, L / 10};
 
 
         std::string vtk_dir = "vtk_plots";
@@ -159,7 +159,7 @@ namespace madness {
         //
         auto L_box = L / 10;
         Vector<double, 3> box_lo{-L_box, -L_box, -L_box};
-        Vector<double, 3> box_hi{L_box , L_box, L_box};
+        Vector<double, 3> box_hi{L_box, L_box, L_box};
 
 
         std::string vtk_dir = "vtk_plots";

diff --git a/src/apps/molresponse/response_parameters.h b/src/apps/molresponse/response_parameters.h
@@ -38,7 +38,7 @@ namespace madness {
             initialize<std::vector<double>>("plot_cell", std::vector<double>(),
                                             "lo-hi plot cell (default is all space)");
             initialize<double>("plot_l", -1.0, "Controls the plotting box size");
-            initialize<size_t>("plot_pts", 81, "Controls number of points in plots");
+            initialize<size_t>("plot_pts", 51, "Controls number of points in plots");
             initialize<bool>("plot_all_orbitals", false, "Turn on 2D plotting of response orbitals ");
             initialize<size_t>("maxiter", 25, "maximum number of iterations");
             initialize<double>("dconv", 1.e-4, "recommended values: 1.e-4 < dconv < 1.e-8");