A scientific computing package for nuclear motion calculations of small molecules.
Project description
nitrogen
NITROGEN is a Python package for nuclear motion calculations and ab initio rovibronic spectroscopy of small molecules.
It is available from PyPI via pip install nitrogen
. The source repository is here.
Documentation is available on Read the Docs.
NITROGEN ver. 2.x is a complete re-write in Python, currently in initial development and planning. The original C code (ver. 1.x) is available here.
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
nitrogen-2.1.dev1.tar.gz
(132.9 kB
view hashes)
Built Distribution
Close
Hashes for nitrogen-2.1.dev1-cp37-cp37m-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | d2bc3669d06e48dd1df2c72c2543ecca6981491745947edda5319c3a8af86796 |
|
MD5 | 72b4972e28e3067d8a14eade145995f8 |
|
BLAKE2b-256 | a16f7c43d0428169749bcc9a378521af06353b3cca1c0b32cf5ddb72b7f4d232 |