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root/OpenMD/trunk/src/brains/SimInfo.cpp
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Comparing trunk/src/brains/SimInfo.cpp (file contents):
Revision 1290 by cli2, Wed Sep 10 19:51:45 2008 UTC vs.
Revision 1386 by gezelter, Fri Oct 23 18:41:09 2009 UTC

# Line 763 | Line 763 | namespace oopse {
763      useRF = 0;
764      useSF = 0;
765      useSP = 0;
766 +    useBoxDipole = 0;
767  
768  
769      if (simParams_->haveElectrostaticSummationMethod()) {
# Line 949 | Line 950 | namespace oopse {
950      nOneTwo = oneTwoInteractions_.getSize();
951      nOneThree = oneThreeInteractions_.getSize();
952      nOneFour = oneFourInteractions_.getSize();
952 –
953 –    std::cerr << "excludedInteractions contains: " << excludedInteractions_.getSize() << " pairs \n";
954 –    std::cerr << "oneTwoInteractions contains: " << oneTwoInteractions_.getSize() << " pairs \n";
955 –    std::cerr << "oneThreeInteractions contains: " << oneThreeInteractions_.getSize() << " pairs \n";
956 –    std::cerr << "oneFourInteractions contains: " << oneFourInteractions_.getSize() << " pairs \n";
953  
954      int* excludeList = excludedInteractions_.getPairList();
955      int* oneTwoList = oneTwoInteractions_.getPairList();
# Line 1057 | Line 1053 | namespace oopse {
1053      int cp =  TRADITIONAL_CUTOFF_POLICY; // Set to traditional by default
1054  
1055      // Set LJ shifting bools to false
1056 <    ljsp_ = false;
1057 <    ljsf_ = false;
1056 >    ljsp_ = 0;
1057 >    ljsf_ = 0;
1058  
1059      std::string myPolicy;
1060      if (forceFieldOptions_.haveCutoffPolicy()){
# Line 1129 | Line 1125 | namespace oopse {
1125          toUpper(myMethod);
1126          
1127          if (myMethod == "SHIFTED_POTENTIAL") {
1128 <          ljsp_ = true;
1128 >          ljsp_ = 1;
1129          } else if (myMethod == "SHIFTED_FORCE") {
1130 <          ljsf_ = true;
1130 >          ljsf_ = 1;
1131          }
1132        }
1133 +
1134        notifyFortranCutoffs(&rcut_, &rsw_, &ljsp_, &ljsf_);
1135        
1136      } else {
# Line 1155 | Line 1152 | namespace oopse {
1152        // For the time being, we're tethering the LJ shifted behavior to the
1153        // electrostaticSummationMethod keyword options
1154            if (myMethod == "SHIFTED_POTENTIAL") {
1155 <            ljsp_ = true;
1155 >            ljsp_ = 1;
1156            } else if (myMethod == "SHIFTED_FORCE") {
1157 <            ljsf_ = true;
1157 >            ljsf_ = 1;
1158            }
1159            if (myMethod == "SHIFTED_POTENTIAL" || myMethod == "SHIFTED_FORCE") {
1160              if (simParams_->haveSwitchingRadius()){

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