# | Line 342 | Line 342 | namespace oopse { | |
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342 | } | |
343 | ||
344 | if (simParams->haveForceFieldFileName()) { | |
345 | + | std::cout<< simParams->getForceFieldFileName() << "\n"; |
346 | ff->setForceFieldFileName(simParams->getForceFieldFileName()); | |
347 | } | |
348 | ||
# | Line 777 | Line 778 | int startingIndex = 0; | |
778 | startingIndex += numIntegrableObjectsPerMol[i]; | |
779 | } | |
780 | ||
780 | – | std::cerr << "nGIO = " << info->getNGlobalIntegrableObjects() << "\n"; |
781 | std::vector<StuntDouble*> IOIndexToIntegrableObject(info->getNGlobalIntegrableObjects(), (StuntDouble*)NULL); | |
782 | for (mol = info->beginMolecule(mi); mol != NULL; mol = info->nextMolecule(mi)) { | |
783 | int myGlobalIndex = mol->getGlobalIndex(); | |
784 | int globalIO = startingIOIndexForMol[myGlobalIndex]; | |
785 | – | std::cerr << "myGlobalIndex = " << myGlobalIndex << " globalIO = " << globalIO << "\n"; |
785 | for (StuntDouble* integrableObject = mol->beginIntegrableObject(ioi); integrableObject != NULL; | |
786 | integrableObject = mol->nextIntegrableObject(ioi)) { | |
787 | integrableObject->setGlobalIntegrableObjectIndex(globalIO); |
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