Change SDF logic

glotzerlab · Oct 19, 2023 · 7f98259 · 7f98259
1 parent 6b8ca38
commit 7f98259
Showing 1 changed file with 18 additions and 10 deletions.
diff --git a/hoomd/hpmc/ComputeSDF.h b/hoomd/hpmc/ComputeSDF.h
@@ -616,11 +616,15 @@ template<class Shape> void ComputeSDF<Shape>::countHistogramLinearSearch(uint64_
                                     if (u_ij_new != u_ij_0)
                                         {
                                         min_bin_compression = bin_to_sample;
-                                        hist_weight_ptl_i_compression
-                                            = 1.0 - fast::exp(-(u_ij_new - u_ij_0));
-                                        // do not let weight go below zero
-                                        hist_weight_ptl_i_compression
-                                            = fmax(0, hist_weight_ptl_i_compression);
+                                        if (u_ij_new < u_ij_0)
+                                            {
+                                            hist_weight_ptl_i_compression = 0;
+                                            }
+                                        else
+                                            {
+                                            hist_weight_ptl_i_compression
+                                                = 1.0 - fast::exp(-(u_ij_new - u_ij_0));
+                                            }
                                         }
                                     } // end if (!hard_overlap && m_mc->getPatchEnergy())
                                 }     // end loop over bins for compression
@@ -671,11 +675,15 @@ template<class Shape> void ComputeSDF<Shape>::countHistogramLinearSearch(uint64_
                                     if (u_ij_new != u_ij_0)
                                         {
                                         min_bin_expansion = bin_to_sample;
-                                        hist_weight_ptl_i_expansion
-                                            = 1.0 - fast::exp(-(u_ij_new - u_ij_0));
-                                        // do not let weight go below zero
-                                        hist_weight_ptl_i_expansion
-                                            = fmax(0, hist_weight_ptl_i_expansion);
+                                        if (u_ij_new < u_ij_0)
+                                            {
+                                            hist_weight_ptl_i_expansion = 0;
+                                            }
+                                        else
+                                            {
+                                            hist_weight_ptl_i_expansion
+                                                = 1.0 - fast::exp(-(u_ij_new - u_ij_0));
+                                            }
                                         }
                                     } // end if (!hard_overlap && m_mc->getPatchEnergy())
                                 }     // end loop over histogram bins for expansions