exatomic.interfaces package

Interfaces

This subpackage contains support for (small) third-party packages and external file types.

Submodules

• exatomic.interfaces.cclib module
  • Interface to cclib
  • universe_from_cclib()
  • parse_ccobj_atom()
  • parse_ccobj_orbital()
  • parse_ccobj_momatrix()
  • parse_ccobj_basis_set_order()
  • parse_ccobj_gaussian_basis_set()
• exatomic.interfaces.cube module
  • Cube File Support
  • Meta
    • Meta.atom
    • Meta.frame
    • Meta.field
  • Cube
    • Cube.parse_atom()
    • Cube.parse_field()
    • Cube.from_universe()
    • Cube.atom
    • Cube.field
    • Cube.frame
  • uni_from_cubes()
• exatomic.interfaces.pdb module
• exatomic.interfaces.xyz module
  • XYZ File Editor
  • InputError
  • Meta
    • Meta.atom
    • Meta.frame
  • XYZ
    • XYZ.parse_frame()
    • XYZ.parse_atom()
    • XYZ.write()
    • XYZ.from_universe()
    • XYZ.atom
    • XYZ.frame