| # | Line 60 | Line 60 | void Molecule::initialize( molInit &theInit ){ | |
|---|---|---|
| 60 | myBonds = theInit.myBonds; | |
| 61 | myBends = theInit.myBends; | |
| 62 | myTorsions = theInit.myTorsions; | |
| 63 | < | myExcludes = theInit.myExcludses; |
| 63 | > | myExcludes = theInit.myExcludes; |
| 64 | ||
| 65 | } | |
| 66 | ||
| # | Line 82 | Line 82 | void Molecule::calcForces( void ){ | |
| 82 | } | |
| 83 | ||
| 84 | ||
| 85 | < | void Molecule::getPotential( void ){ |
| 85 | > | double Molecule::getPotential( void ){ |
| 86 | ||
| 87 | int i; | |
| 88 | double myPot = 0.0; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |