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/** |
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* @class BondType BondType.hpp "types/BondType.hpp" |
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< |
* BondType class is responsible for calculating the force and energy of the bond |
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> |
* BondType class is responsible for calculating the force and |
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> |
* energy of the bond |
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*/ |
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class BondType { |
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public: |
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< |
BondType(double myR0) : r0(myR0) {} |
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> |
BondType(RealType myR0) : r0(myR0) {} |
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virtual ~BondType() {} |
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< |
|
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< |
virtual void calcForce(double r, double& V, double& dVdr) = 0; |
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< |
double getEquilibriumBondLength() {return r0;} |
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< |
void setEquilibriumBondLength(double myR0) { r0 = myR0; } |
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< |
|
| 63 |
> |
|
| 64 |
> |
virtual void calcForce(RealType r, RealType& V, RealType& dVdr) = 0; |
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> |
RealType getEquilibriumBondLength() {return r0;} |
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> |
void setEquilibriumBondLength(RealType myR0) { r0 = myR0; } |
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> |
|
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protected: |
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< |
double r0; /**equilibrium bond length< */ |
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> |
RealType r0; /**equilibrium bond length< */ |
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}; |
| 71 |
< |
|
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< |
|
| 71 |
> |
|
| 72 |
> |
|
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} //end namespace oopse |
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#endif //TYPES_BONDTYPE_HPP |
