httk.atomistic.assignments module

class httk.atomistic.assignments.Assignments(siteassignments, extensions=[])

Bases: httk.core.httkobject.HttkObject

Represents a possible vector of assignments

atomic_numbers

classmethod create(assignments=None)

Create a new assignment object,

assignments: a list-style object with one entry per ‘atom type’. Any sensible type accepted, most notably,

integers (for atom number)

extended

ratios

ratioslist

symbollists

symbols

to_basis()

classmethod use(old)

httk.atomistic.assignments.main()