ai2_kit.feat package

Subpackages

• ai2_kit.feat.catalysis package
  • Submodules
    • ai2_kit.feat.catalysis.constant module
    • ai2_kit.feat.catalysis.ui module
  • Module contents
    • CmdEntries
      • CmdEntries.build_config()
    • ConfigBuilder
      • ConfigBuilder.gen_cp2k_input()
      • ConfigBuilder.gen_deepmd_input()
      • ConfigBuilder.gen_lammps_input()
      • ConfigBuilder.gen_mlp_training_input()
      • ConfigBuilder.gen_plumed_input()
      • ConfigBuilder.get_plumed_group()
      • ConfigBuilder.load_system()
    • cli_main()
    • dump_artifacts()
    • find_cp2k_data_file()
    • get_basis_n_potential()
    • get_type_map()
    • get_valence_electron()
    • inspect_lammps_output()
    • parse_cp2k_data_file()
    • select_basis_set()
    • select_potential()
• ai2_kit.feat.spectrum package
  • Submodules
    • ai2_kit.feat.spectrum.viber module
      • Cp2kLabelTaskBuilder
      • dpdata_read_cp2k_viber_data()
  • Module contents
    • CmdEntries
      • CmdEntries.viber

Module contents