OpenMD
2.6
Molecular Dynamics in the Open
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#include "types/PolynomialInversionType.hpp"
Public Member Functions | |
PolynomialInversionType () | |
RealType | getCoefficient (int power) |
void | addCoefficient (int power, RealType coefficient) |
void | setCoefficient (int power, RealType coefficient) |
void | setPolynomial (DoublePolynomial p) |
virtual InversionKey | getKey () |
virtual void | calcForce (RealType cosPhi, RealType &V, RealType &dVdCosPhi) |
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virtual | ~InversionType () |
Private Attributes | |
DoublePolynomial | polynomial_ |
Definition at line 62 of file PolynomialInversionType.hpp.
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inline |
Definition at line 65 of file PolynomialInversionType.hpp.
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inline |
Definition at line 71 of file PolynomialInversionType.hpp.
References OpenMD::Polynomial< Real >::addCoefficient(), and polynomial_.
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inlinevirtual |
Implements OpenMD::InversionType.
Definition at line 85 of file PolynomialInversionType.hpp.
References OpenMD::Polynomial< Real >::evaluate(), OpenMD::Polynomial< Real >::evaluateDerivative(), and polynomial_.
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Definition at line 67 of file PolynomialInversionType.hpp.
References OpenMD::Polynomial< Real >::getCoefficient(), and polynomial_.
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inlinevirtual |
Implements OpenMD::InversionType.
Definition at line 83 of file PolynomialInversionType.hpp.
References OpenMD::itCosAngle.
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inline |
Definition at line 75 of file PolynomialInversionType.hpp.
References polynomial_, and OpenMD::Polynomial< Real >::setCoefficient().
Referenced by OpenMD::AmberImproperTorsionType::AmberImproperTorsionType().
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inline |
Definition at line 79 of file PolynomialInversionType.hpp.
References polynomial_.
Referenced by OpenMD::ImproperCosineInversionType::ImproperCosineInversionType().
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private |
Definition at line 93 of file PolynomialInversionType.hpp.
Referenced by addCoefficient(), calcForce(), getCoefficient(), setCoefficient(), and setPolynomial().