Changeset 307290

Timestamp:

Jul 23, 2009, 11:46:57 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

560995

Parents:

59a745 (diff), 2bfaf8 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'ConstrainedMolecularDynamics'

Conflicts:

molecuilder/src/molecules.cpp

• conflict was just regarding empty lines with some superfluous spaces

File:

• molecuilder/src/molecules.cpp (modified) (3 diffs)

molecuilder/src/molecules.cpp

@@ -2405 +2405 @@
   Vector x;
   int FalseBondDegree = 0;
-  
+ 
   BondDistance = bonddistance; // * ((IsAngstroem) ? 1. : 1./AtomicLengthToAngstroem);
   *out << Verbose(0) << "Begin of CreateAdjacencyList." << endl;
@@ -2801 +2801 @@
     ColorList[i] = white;
   }
- 
+  
   *out << Verbose(1) << "Back edge list - ";
   BackEdgeStack->Output(out);
@@ -3809 +3809 @@
         OtherAtom = ListOfBondsPerAtom[Walker->nr][i]->GetOtherAtom(Walker);
               if (OtherAtom == ListOfLocalAtoms[Binder->rightatom->nr]) { // found the bond
-              LocalStack->Push(ListOfBondsPerAtom[Walker->nr][i]);
-                                        *out << Verbose(3) << "Found local edge " << *(ListOfBondsPerAtom[Walker->nr][i]) << "." << endl;
+                LocalStack->Push(ListOfBondsPerAtom[Walker->nr][i]);
+                *out << Verbose(3) << "Found local edge " << *(ListOfBondsPerAtom[Walker->nr][i]) << "." << endl;
                 break;
             }