Changes in src/Actions/WorldAction/CenterOnEdgeAction.cpp [84c494:623e89]

File:

• src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) (4 diffs)

src/Actions/WorldAction/CenterOnEdgeAction.cpp

@@ -6 +6 @@
  */
 
-#include "Helpers/MemDebug.hpp"
-
 #include "Actions/WorldAction/CenterOnEdgeAction.hpp"
 #include "atom.hpp"
@@ -13 +11 @@
 #include "vector.hpp"
 #include "World.hpp"
-#include "Matrix.hpp"
 
 #include <iostream>
@@ -38 +35 @@
   Vector Min;
   Vector Max;
+  int j=0;
 
   dialog->queryEmpty(NAME, MapOfActions::getInstance().getDescription(NAME));
@@ -57 +55 @@
     }
     // set new box size
-    Matrix domain;
+    double * const cell_size = World::getInstance().getDomain();
+    for (j=0;j<6;j++)
+      cell_size[j] = 0.;
+    j=-1;
     for (int i=0;i<NDIM;i++) {
-      double tmp = Max[i]-Min[i];
-      tmp = fabs(tmp)>=1. ? tmp : 1.0;
-      domain.at(i,i) = tmp;
+      j += i+1;
+      cell_size[j] = (Max[i]-Min[i]);
     }
-    cout << "new domain is: " << domain << endl;
-    World::getInstance().setDomain(domain);
     // translate all atoms, such that Min is aty (0,0,0)
     for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)