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User Guide

  • Getting started
  • Fundamental Aspects
  • Tutorial
    • Python interface
    • Command line interface
    • High-throughput LOBSTER calcs
    • Computing times

Reference

  • Python API reference
    • lobsterpy.cohp
      • lobsterpy.cohp.analyze
        • Analysis
        • POSCAR_WARNING
      • lobsterpy.cohp.describe
        • Description
    • lobsterpy.featurize
      • lobsterpy.featurize.batch
        • BatchCoxxFingerprint
        • BatchDosFeaturizer
        • BatchIcoxxlistFeaturizer
        • BatchStructureGraphs
        • BatchSummaryFeaturizer
      • lobsterpy.featurize.core
        • FeaturizeCharges
        • FeaturizeCOXX
        • FeaturizeDoscar
        • FeaturizeIcoxxlist
        • FeaturizeLobsterpy
      • lobsterpy.featurize.utils
        • get_electronegativities
        • get_file_paths
        • get_reduced_mass
        • get_structure_path
        • sort_dict_by_value
        • CoxxFingerprint
        • POSCAR_WARNING
    • lobsterpy.plotting
      • get_style_list
      • BWDFPlotter
      • IcohpDistancePlotter
      • InteractiveCohpPlotter
      • PlainCohpPlotter
      • PlainDosPlotter
      • TYPE_CHECKING
      • lobsterpy.plotting.layout_dicts
        • layout_dict
        • cohp_axis_style_dict
        • energy_axis_style_dict
        • spin_up_trace_style_dict
        • spin_down_trace_style_dict
        • legend_style_dict
    • lobsterpy.structuregraph
      • lobsterpy.structuregraph.graph
        • LobsterGraph
        • TYPE_CHECKING
  • CLI Reference
    • create-inputs
    • description
    • description-quality
    • plot-automatic
    • plot-automatic-ia
    • plot-bwdf
    • plot-dos
    • plot-icohp-distance
    • plot

Contributing Guide

  • Contributing to LobsterPy
  • Developer Installation

About

  • Changelog
  • License
  • Repository
  • Open issue
  • .rst

CLI Reference

CLI Reference#

  • create-inputs
  • description
  • description-quality
  • plot-automatic
  • plot-automatic-ia
  • plot-bwdf
  • plot-dos
  • plot-icohp-distance
  • plot

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By Janine George

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