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public: |
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< |
HarmonicBondType(double myR0, double myK) : BondType() { |
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< |
r0 = myR0; |
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> |
HarmonicBondType(double myR0, double myK) : BondType(myR0) { |
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k = myK; |
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} |
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– |
void setEquilibriumBondLength(double r) { r0 = r; } |
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void setForceConstant(double myK) {k = myK; } |
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24 |
– |
double getEquilibriumBondLength() {return r0;} |
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double getForceConstant() {return k;} |
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< |
void calcForce(double r, double& V, double& dVdr) { |
24 |
> |
virtual void calcForce(double r, double& V, double& dVdr) { |
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double dr; |
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27 |
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dr = r - r0; |
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private: |
34 |
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38 |
– |
double r0; |
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double k; |
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37 |
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}; |