Bug#1059884: ITP: python-goodvibes -- Python program to compute thermochemical data
Package: wnpp
Severity: wishlist
Owner: Yogeswaran Umasankar <kd8mbd@gmail.com>
X-Debbugs-Cc: debian-devel@lists.debian.org, kd8mbd@gmail.com
* Package name : python-goodvibes
Version : 3.2
Upstream Contact: Robert Paton <robert.paton@colostate.edu>
* URL : https://github.com/patonlab/GoodVibes
* License : Expat
Programming Lang: Python
Description : Python program to compute thermochemical data
GoodVibes is a Python program to compute thermochemical data from one or
a series of electronic structure calculations. It is used primarily to
correct the poor description of low frequency vibrations by the
rigid-rotor harmonic oscillator treatment. This is depend for other
chemistry related packages.
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