55 |
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56 |
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public: |
57 |
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58 |
< |
HarmonicBondType(double myR0, double myK) : BondType(myR0) { |
58 |
> |
HarmonicBondType(RealType myR0, RealType myK) : BondType(myR0) { |
59 |
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k = myK; |
60 |
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} |
61 |
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62 |
< |
void setForceConstant(double myK) {k = myK; } |
62 |
> |
void setForceConstant(RealType myK) {k = myK; } |
63 |
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64 |
< |
double getForceConstant() {return k;} |
64 |
> |
RealType getForceConstant() {return k;} |
65 |
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66 |
< |
virtual void calcForce(double r, double& V, double& dVdr) { |
67 |
< |
double dr; |
66 |
> |
virtual void calcForce(RealType r, RealType& V, RealType& dVdr) { |
67 |
> |
RealType dr; |
68 |
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69 |
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dr = r - r0; |
70 |
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74 |
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75 |
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private: |
76 |
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77 |
< |
double k; |
77 |
> |
RealType k; |
78 |
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79 |
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}; |
80 |
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} |