chemlab.core ============ This package contains general functions and the most basic data containers such as Atom, Molecule and System. Plus some utility functions to create and edit common Systems. The Atom class -------------- .. autoclass:: chemlab.core.Atom :members: The Molecule class ------------------ .. autoclass:: chemlab.core.Molecule :members: The System class ---------------- .. autoclass:: chemlab.core.System :members: Routines to manipulate Systems ------------------------------ .. autofunction:: chemlab.core.subsystem_from_molecules .. autofunction:: chemlab.core.subsystem_from_atoms .. autofunction:: chemlab.core.merge_systems Routines to create Systems -------------------------- .. autofunction:: chemlab.core.crystal .. autofunction:: chemlab.core.random_lattice_box