Utilities

• dfttk.data_extraction
  • extract_atomic_masses()
  • extract_average_mass()
  • extract_mag_data()
  • extract_tot_mag_data()
• dfttk.aggregate_extraction
  • extract_configuration_data()
  • extract_convergence_data()
  • plot_format()
  • plot_encut_conv()
  • calculate_encut_conv()
  • plot_kpoint_conv()
  • calculate_kpoint_conv()
• dfttk.magnetism
  • determine_magnetic_ordering()
  • get_magnetic_structure()
• dfttk.plotly_format
  • plot_format()