OpenMD 3.0
Molecular Dynamics in the Open
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A bend using the square of the sine of the angle instead of the angle itself: More...
#include <HarmonicSineBendType.hpp>
Public Member Functions | |
HarmonicSineBendType (RealType k) | |
void | setForceConstant (RealType k) |
RealType | getForceConstant () |
void | calcForce (RealType theta, RealType &V, RealType &dVdtheta) |
Public Member Functions inherited from OpenMD::BendType | |
BendType (RealType theta) | |
RealType | getTheta () |
void | setTheta (RealType theta) |
Additional Inherited Members | |
Protected Attributes inherited from OpenMD::BendType | |
RealType | theta0_ |
A bend using the square of the sine of the angle instead of the angle itself:
\[ Vbend = \frac{1}{8} k_\theta \sin^2( 2 \theta) \]
Definition at line 65 of file HarmonicSineBendType.hpp.
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inline |
Definition at line 67 of file HarmonicSineBendType.hpp.
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inlinevirtual |
Implements OpenMD::BendType.
Definition at line 72 of file HarmonicSineBendType.hpp.
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inline |
Definition at line 70 of file HarmonicSineBendType.hpp.
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inline |
Definition at line 69 of file HarmonicSineBendType.hpp.