| # | Line 188 | Line 188 | namespace OpenMD { | |
|---|---|---|
| 188 | return gbCut; | |
| 189 | } | |
| 190 | ||
| 191 | + | void SHAPES::initForce() { |
| 192 | + | if (!initialized_) initialize(); |
| 193 | + | } |
| 194 | ||
| 195 | void SHAPES::calcForce(AtomType* at1, AtomType* at2, Vector3d d, | |
| 196 | RealType r, RealType r2, RealType sw, | |
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