Changes in src/molecule_geometry.cpp [3930eb:b34306]

File:

• src/molecule_geometry.cpp (modified) (5 diffs)

src/molecule_geometry.cpp

@@ -15 +15 @@
 #include "memoryallocator.hpp"
 #include "molecule.hpp"
+#include "World.hpp"
 
 /************************************* Functions for class molecule *********************************/
@@ -26 +27 @@
   bool status = true;
   const Vector *Center = DetermineCenterOfAll();
+  double * const cell_size = World::get()->cell_size;
   double *M = ReturnFullMatrixforSymmetric(cell_size);
   double *Minv = InverseMatrix(M);
@@ -46 +48 @@
 {
   bool status = true;
+  double * const cell_size = World::get()->cell_size;
   double *M = ReturnFullMatrixforSymmetric(cell_size);
   double *Minv = InverseMatrix(M);
@@ -226 +229 @@
 void molecule::TranslatePeriodically(const Vector *trans)
 {
+  double * const cell_size = World::get()->cell_size;
   double *M = ReturnFullMatrixforSymmetric(cell_size);
   double *Minv = InverseMatrix(M);
@@ -252 +256 @@
 {
   atom *Walker = start;
+  double * const cell_size = World::get()->cell_size;
   double *matrix = ReturnFullMatrixforSymmetric(cell_size);
   double *inversematrix = InverseMatrix(cell_size);