Skip to content

McCoyGroup/PyVibPTn

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

4 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

PyVibPTn

At this stage, PyVibPTn is a thin wrapper on the VPT2 package inside the Psience library for vibrational spectroscopy. PyVibPTn can be installed by downloading the source, however it will likely be easier (and more up to date) to use Psience, which is on PyPI and can be pip installed.

Please see the documentation for Psience and in particular the documentation for the VPT2 subpackage Psience for more information.

About

A package for doing vibrational perturbation theory

Resources

License

Stars

Watchers

Forks

Packages

No packages published