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gmx::AtomicStructureFactor Struct Reference

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

+ Collaboration diagram for gmx::AtomicStructureFactor:


Neutron scattering factor parameters for an atom type.

Public Attributes

std::string isotope
 atomic isotope
int atomicNumber
 Number of Protons.
double neutronIsotropicScatteringLength
 neutron scattering length (1e-15m)
CromerMannParameters xrayCromerMannParameters
 Parameters for the Cromer Mann fit.

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