mdsuite.utils.units module¶

MDSuite: A Zincwarecode package.

License¶

This program and the accompanying materials are made available under the terms of the Eclipse Public License v2.0 which accompanies this distribution, and is available at https://www.eclipse.org/legal/epl-v20.html

SPDX-License-Identifier: EPL-2.0

Copyright Contributors to the Zincwarecode Project.

Contact Information¶

email: zincwarecode@gmail.com github: https://github.com/zincware web: https://zincwarecode.com/

Citation¶

If you use this module please cite us with:

Summary¶

class mdsuite.utils.units.Units(time: float, length: float, energy: float, NkTV2p: float, boltzmann: float, temperature: float, pressure: float, avogadro: float = 6.02214076e+23, elementary_charge: float = 1.602176634e-19)[source]¶

Bases: object

Dataclass for the units.

NkTV2p: float¶

avogadro: float = 6.02214076e+23¶

boltzmann: float¶

elementary_charge: float = 1.602176634e-19¶

energy: float¶

length: float¶

pressure: float¶

temperature: float¶

time: float¶

property volume: float¶: Get the volume factor.