iodata

• iodata package
  • Subpackages
    • iodata.formats package
      • Submodules
      • Module contents
    • iodata.inputs package
      • Submodules
      • Module contents
    • iodata.test package
      • Subpackages
      • Submodules
      • Module contents
  • Submodules
    • iodata.api module
      • dump_many()
      • dump_one()
      • load_many()
      • load_one()
      • write_input()
    • iodata.attrutils module
      • convert_array_to()
      • validate_shape()
    • iodata.basis module
      • MolecularBasis
      • Shell
      • angmom_its()
      • angmom_sti()
      • convert_convention_shell()
      • convert_conventions()
      • get_default_conventions()
      • iter_cart_alphabet()
    • iodata.docstrings module
      • document_dump_many()
      • document_dump_one()
      • document_load_many()
      • document_load_one()
      • document_write_input()
    • iodata.iodata module
      • IOData
    • iodata.orbitals module
      • MolecularOrbitals
      • validate_norbab()
      • validate_occs_aminusb()
    • iodata.overlap module
      • GaussianOverlap
      • compute_overlap()
      • factorial2()
      • gob_cart_normalization()
    • iodata.overlap_cartpure module
    • iodata.periodic module
    • iodata.utils module
      • BaseFileError
      • BaseFileWarning
      • Cube
      • DumpError
      • DumpWarning
      • FileFormatError
      • LineIterator
      • LoadError
      • LoadWarning
      • PrepareDumpError
      • WriteInputError
      • check_dm()
      • derive_naturals()
      • set_four_index_element()
      • strtobool()
      • volume()
  • Module contents