Package atompack

A flexible Python library for atomic structure generation.

Expand source code
"""A flexible Python library for atomic structure generation."""

Sub-modules

atompack.atom

A dict-like abstraction for individual atoms.

atompack.bond

A dict-like abstraction for a bond between atoms.

atompack.constants

Common constants used throughout the package.

atompack.crystal

Abstractions for generating and modifying atomic structures with long range order.

atompack.molecule

A simple abstraction for covalently bonded chemical compounds.

atompack.symmetry

An abstraction for crystallographic spacegroups.

atompack.topology

The internal abstraction for a network of optionally bonded atoms.