| # | Line 72 | Line 72 | namespace OpenMD { | |
|---|---|---|
| 72 | refPos_ = refPos; | |
| 73 | refA_ = refA; | |
| 74 | } | |
| 75 | + | |
| 76 | + | Vector3d getReferenceStructure(){ |
| 77 | + | return refPos_; |
| 78 | + | } |
| 79 | + | |
| 80 | ||
| 81 | void calcForce(Vector3d struc); | |
| 82 | void calcForce(Vector3d struc, RotMat3x3d A); | |
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