Scattering
-
class Scattering : public feasst::Analyze
Compute the scattering intensity.
\(F(\vec{q}) = \sum f_i(|\vec{q}|R_i) \exp(-i \vec{q} \cdot \vec{r}_i)\)
where \(r\) is the position of site \(i\), \(q\) is the frequency and \(f_i\) are the scattering lengths, assumed to be spherical with a radius, \(R_i = \sigma_i\).
\(f(qR) = 3 V(R) \frac{\sin(qR)-qR\cos(qr)}{q^3R^3}\),
\(V(R)=\frac{4}{3}\pi R^3\).
The intensity, \(I\), is then given by the \(F(\vec{q})\) multiplied by its complex conjugate:
\(I(q) = |F(\vec{q})|^2\).
Public Functions
-
void initialize(MonteCarlo *mc)
Initialize and precompute before trials.
-
void update(const MonteCarlo &mc)
Perform update action.
-
std::string write(const MonteCarlo &mc)
Perform write action.
Arguments
num_frequency: the number of linearly spaced frequencies between the largest and the smallest, 2*pi/minimum_domain_length (default: 100).
Stepper arguments.
-
void initialize(MonteCarlo *mc)