CoREMOF.models package

Subpackages

• CoREMOF.models.cp_app package
  • Submodules
  • CoREMOF.models.cp_app.descriptors module
  • CoREMOF.models.cp_app.featurizer module
    • LocalPropertyStatsNew
      • LocalPropertyStatsNew.citations()
      • LocalPropertyStatsNew.feature_labels()
      • LocalPropertyStatsNew.featurize()
      • LocalPropertyStatsNew.from_preset()
      • LocalPropertyStatsNew.implementors()
    • add_type_feature()
    • featurize_dataset()
    • featurize_structure()
  • CoREMOF.models.cp_app.generate_labels module
    • compute_atomic_cv_dataset()
    • compute_projected_dos_structure()
    • compute_total_dos_structure()
  • CoREMOF.models.cp_app.predictions module
    • predict_Cv_ensemble_structure()
    • predict_Cv_ensemble_structure_multitemperatures()
  • CoREMOF.models.cp_app.utils module
    • add_type_label()
    • cv_from_dos()
    • cv_from_frequencies()
    • cv_from_pdos()
    • cv_from_pdos_site()
    • read_atoms_from_mesh()
    • read_frequencies_from_mesh()
    • read_pdos()
    • read_totaldos()
    • read_vibspectrum()
    • select_structures()
  • CoREMOF.models.cp_app.versions module
  • Module contents

Module contents

General functions and methods for heat capacity.