#include <gromacs/trajectoryanalysis/modules/scatteringfactors.h>

Description

Cromer-Mann scattering factor parameters to compute structure factor dependent on Q.

$s(q) = \sum_{i}^{4} a_i * \exp(- b_i * (\frac{q}{4\pi})^2) + c$

s(q) units is number of electrons so s(0) ~ Z (atomic number)

The documentation for this struct was generated from the following file:

Public Attributes