| # | Line 324 | Line 324 | namespace OpenMD { | |
|---|---|---|
| 324 | Molecule* mol; | |
| 325 | Atom* atom; | |
| 326 | RealType charge; | |
| 327 | – | RealType moment(0.0); |
| 327 | Vector3d ri(0.0); | |
| 328 | Vector3d dipoleVector(0.0); | |
| 329 | Vector3d nPos(0.0); | |
| # | Line 440 | Line 439 | namespace OpenMD { | |
| 439 | RealType kinetic; | |
| 440 | RealType potential; | |
| 441 | RealType eatom; | |
| 443 | – | RealType AvgE_a_ = 0; |
| 442 | // Convective portion of the heat flux | |
| 443 | Vector3d heatFluxJc = V3Zero; | |
| 444 | ||
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| + | Added lines |
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