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PyExtal 0.1.1.dev107+g1e098660d documentation
PyExtal 0.1.1.dev107+g1e098660d documentation

Contents:

  • Introduction
  • Getting started with PyExtal
  • Package Architecture
    • LARBED Extraction (pyextal.larbed)
    • Understand How to Define/Index LARBED Dataset
    • Input .dat File Configuration
    • Overview of ROI definition in pyextal
    • Coarse Refinement (Correlation based refinement)
    • Fine Refientment (Intensity based Refinement)
  • Simulation
  • Superspace: incommensurate crystallography in (3+d) dimensions
  • PyExtal-JAX: Gradient-Based Refinement
  • Simulation Engine
  • Examples
    • PyExtal example for CBED refinement
    • Structure Factor refinement of Si LARBED 111 systematic row
    • High voltage calibration example
    • Pre-refinement for PyExtal-JAX
  • Bloch Engine API
  • API Reference
    • pyextal
      • pyextal.Constants
      • pyextal.LucyRichardson
      • pyextal.acom
        • pyextal.acom.datfile
        • pyextal.acom.detect
        • pyextal.acom.geometry
        • pyextal.acom.library
        • pyextal.acom.plotting
        • pyextal.acom.quality
        • pyextal.acom.solve
        • pyextal.acom.tilt
      • pyextal.adp
      • pyextal.blochNumpy
      • pyextal.blochwave
      • pyextal.callBloch
      • pyextal.densityMap
      • pyextal.dinfo
      • pyextal.gof
      • pyextal.hdf5io
      • pyextal.jaxEngine
        • pyextal.jaxEngine.hdf5io
        • pyextal.jaxEngine.model
        • pyextal.jaxEngine.optimize
        • pyextal.jaxEngine.postProcess
        • pyextal.jaxEngine.setParams
        • pyextal.jaxEngine.structureModel
        • pyextal.jaxEngine.utils
      • pyextal.jaxGeo
        • pyextal.jaxGeo.cli
        • pyextal.jaxGeo.config
        • pyextal.jaxGeo.figures
        • pyextal.jaxGeo.geometry
        • pyextal.jaxGeo.io
        • pyextal.jaxGeo.lm
        • pyextal.jaxGeo.objective
        • pyextal.jaxGeo.oversub
        • pyextal.jaxGeo.refine
        • pyextal.jaxGeo.reflections
        • pyextal.jaxGeo.settings
        • pyextal.jaxGeo.simulate
      • pyextal.jaxJoint
        • pyextal.jaxJoint.cli
        • pyextal.jaxJoint.datasets
        • pyextal.jaxJoint.engine
        • pyextal.jaxJoint.link
        • pyextal.jaxJoint.optimize
        • pyextal.jaxJoint.params
        • pyextal.jaxJoint.refine
        • pyextal.jaxJoint.report
        • pyextal.jaxJoint.settings
      • pyextal.jaxMultipole
        • pyextal.jaxMultipole.bank
        • pyextal.jaxMultipole.cli
        • pyextal.jaxMultipole.constants
        • pyextal.jaxMultipole.crystal
        • pyextal.jaxMultipole.data
        • pyextal.jaxMultipole.fit
        • pyextal.jaxMultipole.harmonics
        • pyextal.jaxMultipole.intensity
        • pyextal.jaxMultipole.maps
        • pyextal.jaxMultipole.model
        • pyextal.jaxMultipole.params
        • pyextal.jaxMultipole.plotting
        • pyextal.jaxMultipole.protocol
        • pyextal.jaxMultipole.radial
        • pyextal.jaxMultipole.report
        • pyextal.jaxMultipole.settings
        • pyextal.jaxMultipole.symmetry
        • pyextal.jaxMultipole.wien2k
      • pyextal.larbed
        • pyextal.larbed.analysis
        • pyextal.larbed.calibration
        • pyextal.larbed.empad
        • pyextal.larbed.peaks
      • pyextal.metric
      • pyextal.optimize
      • pyextal.roi
      • pyextal.superspace
        • pyextal.superspace.approximant
        • pyextal.superspace.engine
        • pyextal.superspace.indexing
        • pyextal.superspace.lattice
        • pyextal.superspace.modulation
        • pyextal.superspace.saed
        • pyextal.superspace.scattering
        • pyextal.superspace.structurefactor
        • pyextal.superspace.symmetry
        • pyextal.superspace.tas2
      • pyextal.symmetry
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pyextal¶

Submodules¶

  • pyextal.Constants
  • pyextal.LucyRichardson
  • pyextal.acom
  • pyextal.adp
  • pyextal.blochNumpy
  • pyextal.blochwave
  • pyextal.callBloch
  • pyextal.densityMap
  • pyextal.dinfo
  • pyextal.gof
  • pyextal.hdf5io
  • pyextal.jaxEngine
  • pyextal.jaxGeo
  • pyextal.jaxJoint
  • pyextal.jaxMultipole
  • pyextal.larbed
  • pyextal.metric
  • pyextal.optimize
  • pyextal.roi
  • pyextal.superspace
  • pyextal.symmetry
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