DocumentationΒΆ
Contents:
- Cartesian coordinates
- Cartesian
- xyz_functions
- chemcoord.xyz_functions.isclose
- chemcoord.xyz_functions.allclose
- chemcoord.xyz_functions.concat
- chemcoord.xyz_functions.write_molden
- chemcoord.xyz_functions.to_molden
- chemcoord.xyz_functions.read_molden
- chemcoord.xyz_functions.view
- chemcoord.xyz_functions.dot
- chemcoord.xyz_functions.apply_grad_zmat_tensor
- Symmetry
- Internal coordinates
- Configuration of settings
- Exceptions