--- trunk/src/brains/SimInfo.cpp 2008/09/10 19:51:45 1290 +++ trunk/src/brains/SimInfo.cpp 2009/10/23 18:41:09 1386 @@ -763,6 +763,7 @@ namespace oopse { useRF = 0; useSF = 0; useSP = 0; + useBoxDipole = 0; if (simParams_->haveElectrostaticSummationMethod()) { @@ -949,11 +950,6 @@ namespace oopse { nOneTwo = oneTwoInteractions_.getSize(); nOneThree = oneThreeInteractions_.getSize(); nOneFour = oneFourInteractions_.getSize(); - - std::cerr << "excludedInteractions contains: " << excludedInteractions_.getSize() << " pairs \n"; - std::cerr << "oneTwoInteractions contains: " << oneTwoInteractions_.getSize() << " pairs \n"; - std::cerr << "oneThreeInteractions contains: " << oneThreeInteractions_.getSize() << " pairs \n"; - std::cerr << "oneFourInteractions contains: " << oneFourInteractions_.getSize() << " pairs \n"; int* excludeList = excludedInteractions_.getPairList(); int* oneTwoList = oneTwoInteractions_.getPairList(); @@ -1057,8 +1053,8 @@ namespace oopse { int cp = TRADITIONAL_CUTOFF_POLICY; // Set to traditional by default // Set LJ shifting bools to false - ljsp_ = false; - ljsf_ = false; + ljsp_ = 0; + ljsf_ = 0; std::string myPolicy; if (forceFieldOptions_.haveCutoffPolicy()){ @@ -1129,11 +1125,12 @@ namespace oopse { toUpper(myMethod); if (myMethod == "SHIFTED_POTENTIAL") { - ljsp_ = true; + ljsp_ = 1; } else if (myMethod == "SHIFTED_FORCE") { - ljsf_ = true; + ljsf_ = 1; } } + notifyFortranCutoffs(&rcut_, &rsw_, &ljsp_, &ljsf_); } else { @@ -1155,9 +1152,9 @@ namespace oopse { // For the time being, we're tethering the LJ shifted behavior to the // electrostaticSummationMethod keyword options if (myMethod == "SHIFTED_POTENTIAL") { - ljsp_ = true; + ljsp_ = 1; } else if (myMethod == "SHIFTED_FORCE") { - ljsf_ = true; + ljsf_ = 1; } if (myMethod == "SHIFTED_POTENTIAL" || myMethod == "SHIFTED_FORCE") { if (simParams_->haveSwitchingRadius()){