struct forcefields::Ccl::Dtheta¶

Overview¶

\(\Delta \theta\) parameter in paper. More…

#include <ccl.hpp>
 
struct Dtheta {
    // fields
 
    double _1;
    double _2;
    double _3;
    double n1[3];
    double n2[3];
};

Detailed Documentation¶

\(\Delta \theta\) parameter in paper.

Fields¶

double _1

Delta theta.

double _2

(Delta theta)^2

double _3

(Delta theta)^3

double n1[3]

Convert derivative to force. The vector has should have direction of the force applied on hydrogen one. The norm of the vector should be \(\frac{1}{r_1}\). This way multiplying the vector by the moment gives the force on hydrogen 1.

Reminder:

The moment is the equivalent of the force for angular coordinates:

\[M=-\frac{dE}{d\theta}\]

The moment is related to the force:

\[\mathbf M=\mathbf r \times \mathbf F\]

The vector n is defined as:

\[\mathbf n=\frac{\mathbf F}{M}\]

and

\[|\mathbf n|=\frac{1}{r}\]

double n2[3]

Same as n1 but for hydrogen 2.