README.md
setup.py
PyXplore/WPEM.py
PyXplore/__init__.py
PyXplore.egg-info/PKG-INFO
PyXplore.egg-info/SOURCES.txt
PyXplore.egg-info/dependency_links.txt
PyXplore.egg-info/requires.txt
PyXplore.egg-info/top_level.txt
PyXplore/Amorphous/__init__.py
PyXplore/Amorphous/QuantitativeCalculation/AmorphousRDF.py
PyXplore/Amorphous/QuantitativeCalculation/__init__.py
PyXplore/Amorphous/fitting/AmorphousFitting.py
PyXplore/Amorphous/fitting/__init__.py
PyXplore/Background/BacDeduct.py
PyXplore/Background/__init__.py
PyXplore/DecomposePlot/__init__.py
PyXplore/DecomposePlot/plot.py
PyXplore/EMBraggOpt/BraggLawDerivation.py
PyXplore/EMBraggOpt/EMBraggSolver.py
PyXplore/EMBraggOpt/__init__.py
PyXplore/EMBraggOpt/WPEMFuns/SolverFuns.py
PyXplore/EMBraggOpt/WPEMFuns/__init__.py
PyXplore/Extinction/CifReader.py
PyXplore/Extinction/Relaxer.py
PyXplore/Extinction/XRDpre.py
PyXplore/Extinction/__init__.py
PyXplore/Extinction/m3gnet/__init__.py
PyXplore/Extinction/m3gnet/callbacks.py
PyXplore/Extinction/m3gnet/cli.py
PyXplore/Extinction/m3gnet/config.py
PyXplore/Extinction/m3gnet/type.py
PyXplore/Extinction/m3gnet/graph/__init__.py
PyXplore/Extinction/m3gnet/graph/_batch.py
PyXplore/Extinction/m3gnet/graph/_compute.py
PyXplore/Extinction/m3gnet/graph/_converters.py
PyXplore/Extinction/m3gnet/graph/_structure.py
PyXplore/Extinction/m3gnet/graph/_types.py
PyXplore/Extinction/m3gnet/layers/__init__.py
PyXplore/Extinction/m3gnet/layers/_aggregate.py
PyXplore/Extinction/m3gnet/layers/_atom.py
PyXplore/Extinction/m3gnet/layers/_atom_ref.py
PyXplore/Extinction/m3gnet/layers/_base.py
PyXplore/Extinction/m3gnet/layers/_basis.py
PyXplore/Extinction/m3gnet/layers/_bond.py
PyXplore/Extinction/m3gnet/layers/_core.py
PyXplore/Extinction/m3gnet/layers/_cutoff.py
PyXplore/Extinction/m3gnet/layers/_gn.py
PyXplore/Extinction/m3gnet/layers/_readout.py
PyXplore/Extinction/m3gnet/layers/_state.py
PyXplore/Extinction/m3gnet/layers/_three_body.py
PyXplore/Extinction/m3gnet/layers/_two_body.py
PyXplore/Extinction/m3gnet/models/__init__.py
PyXplore/Extinction/m3gnet/models/_base.py
PyXplore/Extinction/m3gnet/models/_dynamics.py
PyXplore/Extinction/m3gnet/models/_m3gnet.py
PyXplore/Extinction/m3gnet/trainers/__init__.py
PyXplore/Extinction/m3gnet/trainers/_metrics.py
PyXplore/Extinction/m3gnet/trainers/_potential.py
PyXplore/Extinction/m3gnet/trainers/_property.py
PyXplore/Extinction/m3gnet/utils/__init__.py
PyXplore/Extinction/m3gnet/utils/_general.py
PyXplore/Extinction/m3gnet/utils/_math.py
PyXplore/Extinction/m3gnet/utils/_tf.py
PyXplore/Extinction/wyckoff/__init__.py
PyXplore/Extinction/wyckoff/wyckoff_dict.py
PyXplore/GraphStructure/__init__.py
PyXplore/GraphStructure/graph.py
PyXplore/Plot/UnitCell.py
PyXplore/Plot/__init__.py
PyXplore/Refinement/VolumeFractionDertermination.py
PyXplore/Refinement/__init__.py
PyXplore/StructureOpt/SiteOpt.py
PyXplore/StructureOpt/__init__.py
PyXplore/WPEMXAS/EXAFS.py
PyXplore/WPEMXAS/__init__.py
PyXplore/WPEMXAS/fftdemo.ipynb
PyXplore/WPEMXPS/XPSEM.py
PyXplore/WPEMXPS/__init__.py
PyXplore/XRDSimulation/Simulation.py
PyXplore/XRDSimulation/__init__.py
PyXplore/XRDSimulation/DiffractionGrometry/__init__.py
PyXplore/XRDSimulation/DiffractionGrometry/atom.py
PyXplore/refs/International_Union_of_Crystallography.pdf
PyXplore/refs/WPEM_Manual.pdf