Changes in src/molecule.cpp [833b15:06804b]

File:

• src/molecule.cpp (modified) (1 diff)

src/molecule.cpp

@@ -751 +751 @@
 };
 
+/** Sets the molecule::cell_size to the components of \a *dim (rectangular box)
+ * \param *dim vector class
+ */
+void molecule::SetBoxDimension(Vector *dim)
+{
+  RealSpaceMatrix domain;
+  for(int i =0; i<NDIM;++i)
+    domain.at(i,i) = dim->at(i);
+  World::getInstance().setDomain(domain);
+};
+
 /** Removes atom from molecule list, but does not delete it.
  * \param *pointer atom to be removed