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.
Project details
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-2021.4.5.tar.gz
(264.3 kB
view hashes)
Built Distribution
Close
Hashes for molsystem-2021.4.5-py2.py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 7a4f78e75536c9cc2112dba1017e47e0f57f944ff20b218ddf474e86f1e3e310 |
|
MD5 | 89802b11ce848716e6444687dd758e21 |
|
BLAKE2b-256 | c8125a2dd755fa047b9005b5bd8f522851b64fdae016e3be8d88cef5666f2e67 |