Use constexpr to define tolerance parameter in a single place

Colvars · Oct 16, 2024 · ad80e18 · ad80e18
1 parent e42bd9a
commit ad80e18
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Showing 2 changed files with 8 additions and 4 deletions.
diff --git a/src/colvar.cpp b/src/colvar.cpp
@@ -2213,12 +2213,10 @@ int colvar::set_cvc_param(std::string const &param_name, void const *new_value)
 bool colvar::periodic_boundaries(colvarvalue const &lb, colvarvalue const &ub) const
 {
   if (period > 0.0) {
-    if ( ((cvm::sqrt(this->dist2(lb, ub))) / this->width)
-         < 1.0E-10 ) {
+    if (((cvm::sqrt(this->dist2(lb, ub))) / this->width) < colvar_boundaries_tol) {
       return true;
     }
   }
-
   return false;
 }
 

diff --git a/src/colvar.h b/src/colvar.h
@@ -262,7 +262,7 @@ class colvar : public colvarparse, public colvardeps {
 
   /// Init defaults for grid options
   int init_grid_parameters(std::string const &conf);
-  
+
   /// Consistency check for the grid paramaters
   int check_grid_parameters();
 
@@ -784,4 +784,10 @@ inline void colvar::reset_bias_force() {
   fb_actual.reset();
 }
 
+
+namespace {
+  // Tolerance parameter to decide when two boundaries coincide
+  constexpr cvm::real colvar_boundaries_tol = 1.0e-10;
+}
+
 #endif