Classes

The viperleed.calc package uses a number of classes to represent the input data, parameters and the results of LEED-I(V) calculations.

atom.Atom(el, pos, num, slab)	Class storing information about a single atom.
atom_containers.AtomContainer()	Base class for all other collections of Atom objects.
atom_containers.AtomList(*atoms[, strict])	A sequence of Atom objects.
beam.Beam(hk[, maxdenom])	Class storing properties and data of a diffraction beam.
layer.Layer(slab, num[, is_bulk])	A container of atoms residing close to one another along z.
r_error.R_Error(r_type, atoms, mode, rfacs, ...)	Data structure for storing errors after they have been calculated.
rparams.DomainParameters(workdir, homedir, name)	Stores workdir, slab and Rparams objects for each domain
rparams.Rparams()	Stores the parameters found in a PARAMETERS file (default values in __init__), as well as some parameters defined at runtime.
searchpar.SearchPar(atom, mode, el, deltaname)	Stores properties of ONE parameter of the search, i.e. what variation of what atom is linked to this parameter.
sitetype.Sitetype(el, name)	Class storing properties of a site.
sitetype.Atom_type(el, name, new_bulk[, layer])	Collection of atoms with the same element and same site; inherited fromm Sitetype.
slab.base_slab.BaseSlab()	An abstract base class representing a solid.
slab.bulk_slab.BulkSlab()	A class representing an infinite solid, period in 3D.
slab.surface_slab.SurfaceSlab()	A class representing a semi-infinite solid.
sym_entity.SymPlane(pos, dr, abt[, ty, ...])	Candidate plane for a symmetry operation.