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
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A dict-like abstraction for individual atoms.
atompack.bond
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A dict-like abstraction for a bond between atoms.
atompack.constants
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Common constants used throughout the package.
atompack.crystal
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Abstractions for generating and modifying atomic structures with long range order.
atompack.molecule
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A simple abstraction for covalently bonded chemical compounds.
atompack.symmetry
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An abstraction for crystallographic spacegroups.
atompack.topology
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The internal abstraction for a network of optionally bonded atoms.