| # | Line 54 | Line 54 | namespace oopse { | |
|---|---|---|
| 54 | class HarmonicBondType : public BondType { | |
| 55 | ||
| 56 | public: | |
| 57 | < | |
| 57 | > | |
| 58 | HarmonicBondType(RealType myR0, RealType myK) : BondType(myR0) { | |
| 59 | k = myK; | |
| 60 | } | |
| 61 | ||
| 62 | void setForceConstant(RealType myK) {k = myK; } | |
| 63 | < | |
| 63 | > | |
| 64 | RealType getForceConstant() {return k;} | |
| 65 | < | |
| 65 | > | |
| 66 | virtual void calcForce(RealType r, RealType& V, RealType& dVdr) { | |
| 67 | RealType dr; | |
| 68 | < | |
| 68 | > | |
| 69 | dr = r - r0; | |
| 70 | ||
| 71 | V = 0.5 * k * dr * dr; | |
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