error

class surface_pd.error.NoInversionSymmetryError

Raised when an inversion symmetry center cannot be found.

class surface_pd.error.SlabOrientationError

Raised when slab vacuum is not aligned with the expected direction.

class surface_pd.error.NonCentralInversionSymmetryError

Raised when a slab’s inversion center is not at the origin.

class surface_pd.error.PrimitiveStructureFinderError

Raised when refinement loses sites or introduces redundant sites.

class surface_pd.error.NonDefinedSelectiveDynamicsError

Raised when some slab sites lack selective-dynamics flags.

class surface_pd.error.NonSlabError

Raised when a structure lacks enough vacuum to be a slab model.

class surface_pd.error.TooLargeSlabError

Raised when a requested cell would produce too many structures.

class surface_pd.error.InvalidCompositionError

Raised when a composition is incompatible with the target cell size.

class surface_pd.error.NonIntegerError

Raised when an enumerated atom count is not effectively integral.

class surface_pd.error.IncompatibleSymmError

Raised when requested symmetry conflicts with the slab geometry.

class surface_pd.error.InvalidInputFormatError

Raised when CLI input cannot be parsed as the expected JSON format.