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root/OpenMD/branches/development/src/perturbations/ElectricField.cpp
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Comparing branches/development/src/perturbations/ElectricField.cpp (file contents):
Revision 1874 by gezelter, Wed May 15 15:09:35 2013 UTC vs.
Revision 1875 by gezelter, Fri May 17 14:41:42 2013 UTC

# Line 77 | Line 77 | namespace OpenMD {
77      Vector3d trq;
78      Vector3d EFfrc;                            
79      Vector3d pos;
80 –    RealType chrg;
81 –    RealType pot, fieldPot;
82 –    RealType chrgToKcal = 23.0609;
83 –    RealType debyeToKcal = 4.8018969509;
80  
85 –
81      if (doElectricField) {
82 <      fieldPot = 0.0;
82 >      const RealType chrgToKcal = 23.0609;
83 >      const RealType debyeToKcal = 4.8018969509;
84 >      RealType pot;
85 >      RealType fieldPot = 0.0;
86  
87        for (mol = info_->beginMolecule(i); mol != NULL;
88             mol = info_->nextMolecule(i)) {      
# Line 93 | Line 91 | namespace OpenMD {
91               atom = mol->nextAtom(j)) {
92  
93            bool isCharge = false;
94 <          chrg = 0.0;
94 >          RealType chrg = 0.0;
95            
96            AtomType* atype = atom->getAtomType();
97            

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