Changes in src/moleculelist.cpp [7d82a5:833b15]

File:

• src/moleculelist.cpp (modified) (2 diffs)

src/moleculelist.cpp

@@ -229 +229 @@
       }
       // Center and size
-      Vector *Center = (*ListRunner)->DetermineCenterOfAll();
-      (*out) << "\t" << *Center << "\t" << sqrt(size) << endl;
-      delete(Center);
+      Vector Center = (*ListRunner)->DetermineCenterOfAll();
+      (*out) << "\t" << Center << "\t" << sqrt(size) << endl;
     }
   }
@@ -578 +577 @@
 //        if (BoxDimension[k] < 1.)
 //          BoxDimension[k] += 1.;
-//      (*ListRunner)->SetBoxDimension(&BoxDimension); // update Box of atoms by boundary
+//      {
+//        RealSpaceMatrix domain;
+//        for(int i =0; i<NDIM;++i)
+//          domain.at(i,i) = BoxDimension[i];
+//        World::getInstance().setDomain(domain);
+//      }
 //      for (int k = 0; k < NDIM; k++) {
 //        BoxDimension[k] = 2.5 * (World::getInstance().getConfig()->GetIsAngstroem() ? 1. : 1. / AtomicLengthToAngstroem);