molsystem
Project description
MolSystem
Molsystem provides a general class for handling molecular and periodic systems
Free software: GNU Lesser General Public License v3+
Documentation: https://molsystem.readthedocs.io.
Features
Complete the initial version!
Remove the coordinates from the Atoms class and allow for multiple sets of coordinates – conformers, trajectories, etc.
Provide a concept of the ‘current’ system
Credits
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.
History
0.1.0 (2019-05-05)
First release on PyPI.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
molsystem-2021.2.2.tar.gz
(246.9 kB
view hashes)
Built Distribution
Close
Hashes for molsystem-2021.2.2-py2.py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 065502f0c530ce6e4fc7e181f339eb4063cf21de904b86fec7c37f2b8692d4d1 |
|
| MD5 | a128086e315ed3495892e6bf638cb9fc |
|
| BLAKE2b-256 | a6a4f1bf584bd52ce1b12b858527e9c05ac9f39fe342ec70b988c42c9feb1e05 |
