# | Line 60 | Line 60 | |
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60 | #include "io/ForceFieldOptions.hpp" | |
61 | #include "UseTheForce/ForceField.hpp" | |
62 | #include "nonbonded/SwitchingFunction.hpp" | |
63 | + | #ifdef IS_MPI |
64 | + | #include <mpi.h> |
65 | + | #endif |
66 | ||
67 | using namespace std; | |
68 | namespace OpenMD { | |
# | Line 819 | Line 822 | namespace OpenMD { | |
822 | ||
823 | for (atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { | |
824 | GlobalAtomIndices[atom->getLocalIndex()] = atom->getGlobalIndex(); | |
822 | – | cerr << "LI = " << atom->getLocalIndex() << "GAI = " << GlobalAtomIndices[atom->getLocalIndex()] << "\n"; |
825 | } | |
826 | } | |
827 | return GlobalAtomIndices; | |
# | Line 841 | Line 843 | namespace OpenMD { | |
843 | for (cg = mol->beginCutoffGroup(ci); cg != NULL; | |
844 | cg = mol->nextCutoffGroup(ci)) { | |
845 | GlobalGroupIndices.push_back(cg->getGlobalIndex()); | |
844 | – | cerr << "LI, GGI = " << GlobalGroupIndices.size() << " " << cg->getGlobalIndex() << "\n"; |
846 | } | |
847 | } | |
848 | return GlobalGroupIndices; |
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