OpenMD
2.6
Molecular Dynamics in the Open
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#include "types/CharmmTorsionType.hpp"
Public Member Functions | |
CharmmTorsionType (std::vector< CharmmTorsionParameter > ¶meters) | |
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PolynomialTorsionType () | |
RealType | getCoefficient (int power) |
void | addCoefficient (int power, RealType coefficient) |
void | setCoefficient (int power, RealType coefficient) |
void | setPolynomial (DoublePolynomial p) |
virtual void | calcForce (RealType cosPhi, RealType &V, RealType &dVdCosPhi) |
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virtual | ~TorsionType () |
Definition at line 79 of file CharmmTorsionType.hpp.
OpenMD::CharmmTorsionType::CharmmTorsionType | ( | std::vector< CharmmTorsionParameter > & | parameters | ) |
Definition at line 55 of file CharmmTorsionType.cpp.
References OpenMD::ChebyshevT::getChebyshevPolynomial(), OpenMD::ChebyshevU::getChebyshevPolynomial(), and OpenMD::PolynomialTorsionType::setPolynomial().