Changes in src/molecule_fragmentation.cpp [b34306:49e1ae]
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/molecule_fragmentation.cpp
rb34306 r49e1ae 18 18 #include "molecule.hpp" 19 19 #include "periodentafel.hpp" 20 #include "World.hpp"21 20 22 21 /************************************* Functions for class molecule *********************************/ … … 844 843 845 844 Leaf->BondDistance = mol->BondDistance; 845 for(int i=NDIM*2;i--;) 846 Leaf->cell_size[i] = mol->cell_size[i]; 846 847 847 848 // first create the minimal set of atoms from the KeySet … … 1653 1654 atom *Walker = NULL; 1654 1655 atom *OtherWalker = NULL; 1655 double * const cell_size = World::get()->cell_size;1656 1656 double *matrix = ReturnFullMatrixforSymmetric(cell_size); 1657 1657 enum Shading *ColorList = NULL;
Note:
See TracChangeset
for help on using the changeset viewer.