Changeset 4c60ef for molecuilder/src/molecule_dynamics.cpp
- Timestamp:
- Mar 10, 2010, 5:51:48 PM (16 years ago)
- Children:
- 4fc41a
- Parents:
- 025ca2
- File:
-
- 1 edited
-
molecuilder/src/molecule_dynamics.cpp (modified) (2 diffs)
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molecuilder/src/molecule_dynamics.cpp
r025ca2 r4c60ef 486 486 bool status = true; 487 487 int MaxSteps = configuration.MaxOuterStep; 488 MoleculeListClass *MoleculePerStep = new MoleculeListClass(World::get ());488 MoleculeListClass *MoleculePerStep = new MoleculeListClass(World::getPointer()); 489 489 // Get the Permutation Map by MinimiseConstrainedPotential 490 490 atom **PermutationMap = NULL; … … 506 506 Log() << Verbose(1) << "Filling intermediate " << MaxSteps << " steps with MDSteps of " << MDSteps << "." << endl; 507 507 for (int step = 0; step <= MaxSteps; step++) { 508 mol = World::get ()->createMolecule();508 mol = World::getInstance().createMolecule(); 509 509 MoleculePerStep->insert(mol); 510 510 Walker = start;
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