featurebox package

Subpackages

• featurebox.cli package
  • Submodules
  • featurebox.cli.vasp_bader module
    • BaderStartInter
      • BaderStartInter.run()
    • BaderStartSingleResult
      • BaderStartSingleResult.read()
      • BaderStartSingleResult.run()
    • BaderStartZero
      • BaderStartZero.batch_after_treatment()
      • BaderStartZero.extract()
      • BaderStartZero.read()
      • BaderStartZero.run()
  • featurebox.cli.vasp_bgp module
    • BandGapPy
      • BandGapPy.batch_after_treatment()
      • BandGapPy.run()
    • BandGapStartInter
      • BandGapStartInter.run()
    • BandGapStartSingleResult
      • BandGapStartSingleResult.read()
      • BandGapStartSingleResult.run()
    • BandGapStartZero
      • BandGapStartZero.batch_after_treatment()
      • BandGapStartZero.read()
      • BandGapStartZero.run()
  • featurebox.cli.vasp_chg_diff module
    • file1
    • file2
  • featurebox.cli.vasp_cohp module
    • COHPStartInter
      • COHPStartInter.run()
    • COHPStartSingleResult
      • COHPStartSingleResult.read()
      • COHPStartSingleResult.run()
    • COHPStartZero
      • COHPStartZero.batch_after_treatment()
      • COHPStartZero.read()
      • COHPStartZero.run()
  • featurebox.cli.vasp_converge module
    • ConvergeChecker
      • ConvergeChecker.batch_after_treatment()
      • ConvergeChecker.run()
    • check_convergence()
  • featurebox.cli.vasp_dbc module
    • DBCPy
      • DBCPy.batch_after_treatment()
      • DBCPy.run()
    • DBCStartInter
      • DBCStartInter.run()
    • DBCStartSingleResult
      • DBCStartSingleResult.read()
      • DBCStartSingleResult.run()
    • DBCStartZero
      • DBCStartZero.batch_after_treatment()
      • DBCStartZero.extract()
      • DBCStartZero.read()
      • DBCStartZero.run()
    • DBCxyzPathOut
      • DBCxyzPathOut.batch_after_treatment()
      • DBCxyzPathOut.extract()
      • DBCxyzPathOut.run()
    • get_atom_pdos_center()
    • get_ele_pdos_center()
  • featurebox.cli.vasp_dos module
    • DosPy
      • DosPy.batch_after_treatment()
      • DosPy.run()
    • Dosxyz
      • Dosxyz.calculate()
      • Dosxyz.dbc_part_atom_num()
      • Dosxyz.dbc_part_atom_type()
      • Dosxyz.number_of_channels
      • Dosxyz.number_of_header_lines
      • Dosxyz.pdos_by_atom_num()
      • Dosxyz.pdos_by_atom_type()
      • Dosxyz.pdos_by_spdf()
      • Dosxyz.pdos_by_spdf_atom_num()
      • Dosxyz.pdos_by_spdf_atom_type()
      • Dosxyz.pdos_by_spdf_xyz_atom_num()
      • Dosxyz.pdos_by_spdf_xyz_atom_type()
      • Dosxyz.pdos_column_names()
      • Dosxyz.pdos_select()
      • Dosxyz.pdos_sum()
      • Dosxyz.process_header()
      • Dosxyz.read_atomic_dos_as_df()
      • Dosxyz.read_header()
      • Dosxyz.read_projected_dos()
      • Dosxyz.scale()
    • DosxyzPathOut
      • DosxyzPathOut.batch_after_treatment()
      • DosxyzPathOut.run()
    • get_atom_pdos()
    • get_ele_pdos()
  • featurebox.cli.vasp_general_diff module
    • GeneralDiff
      • GeneralDiff.batch_after_treatment()
      • GeneralDiff.run()
  • featurebox.cli.vasp_general_single module
    • General
      • General.batch_after_treatment()
      • General.run()
• featurebox.data package
  • Submodules
  • featurebox.data.check_data module
    • CheckElements
      • CheckElements.check()
      • CheckElements.from_list()
      • CheckElements.from_pymatgen_structures()
      • CheckElements.passed_idx()
  • featurebox.data.data_sep module
    • DataSameSep
      • DataSameSep.replace()
      • DataSameSep.replace_entry()
      • DataSameSep.settle()
      • DataSameSep.settle_to_pd()
      • DataSameSep.spilt()
      • DataSameSep.update()
      • DataSameSep.update_entry()
      • DataSameSep.update_entry_kv()
      • DataSameSep.update_from_pd()
  • featurebox.data.mp_access module
    • MpAccess
      • MpAccess.cifs_to_structures()
      • MpAccess.data_fetcher()
      • MpAccess.get_ids()
      • MpAccess.get_ids_from_web_table()
  • featurebox.data.namesplit module
    • NameSplit
      • NameSplit.transform()
• featurebox.featurizers package
  • Subpackages
    • featurebox.featurizers.atom package
      • Submodules
      • featurebox.featurizers.atom.mapper module
    • featurebox.featurizers.envir package
      • Subpackages
      • Submodules
      • featurebox.featurizers.envir.desc_env module
      • featurebox.featurizers.envir.environment module
      • featurebox.featurizers.envir.local_env module
    • featurebox.featurizers.state package
      • Submodules
      • featurebox.featurizers.state.extrastats module
      • featurebox.featurizers.state.state_mapper module
      • featurebox.featurizers.state.statistics module
      • featurebox.featurizers.state.union module
  • Submodules
  • featurebox.featurizers.base_feature module
    • BaseFeature
      • BaseFeature.authors
      • BaseFeature.citations
      • BaseFeature.convert()
      • BaseFeature.feature_labels
      • BaseFeature.fit()
      • BaseFeature.fit_transform()
      • BaseFeature.n_jobs
      • BaseFeature.set_feature_labels()
      • BaseFeature.transform()
      • BaseFeature.transform_with_zip()
    • Converter
    • ConverterCat
      • ConverterCat.convert()
      • ConverterCat.sums()
    • ConverterSequence
      • ConverterSequence.convert()
    • DummyConverter
      • DummyConverter.convert()
  • featurebox.featurizers.batch_feature module
    • BatchFeature
      • BatchFeature.convert()
      • BatchFeature.feature_labels
      • BatchFeature.set_feature_labels()
• featurebox.selection package
  • Submodules
  • featurebox.selection.backforward module
  • featurebox.selection.corr module
  • featurebox.selection.exhaustion module
  • featurebox.selection.ga module
  • featurebox.selection.multibase module
• featurebox.utils package
  • Submodules
  • featurebox.utils.general module
  • featurebox.utils.predefined_typing module
  • featurebox.utils.quickmethod module
    • cv_predict()
    • dict_me()
    • dict_method_clf()
    • dict_method_reg()
    • method_pack()
    • pack_score()