structure_factor_utils.structure_factor

Utility for calculating scattering structure factors

Structure factor calculations for various scattering methods are implemented in this file. The atomic structures and output files interface with the Atomic Simulation Environment (ASE).

Copyright (C) 2023 Henry Ding

This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.

This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA

Classes

ElasticNeutronFactor(name, atoms)	Implements StructureFactor for elastic neutron scattering
StructureFactor(name, atoms)	Abstract base class for the scattering structure factor of a system.
StructureFactorArtist(axis)	Draws plots of the structure factor