Skip to content

Calculate thermochemical and kinetic quantities from spectroscopic/quantum data.

Notifications You must be signed in to change notification settings

shamelmerchant/CanTherm

 
 

Repository files navigation

Copyright (c) 2002-2009 William H. Green and the CanTherm Team

Permission is hereby granted, free of charge, to any person obtaining a copy of
this software and associated documentation files (the "Software"), to deal in
the Software without restriction, including without limitation the rights to
use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of
the Software, and to permit persons to whom the Software is furnished to do so,
subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS
FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR
COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER
IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN
CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.


INTRODUCTION
------------

CANTHERM is written in python and calculates the thermodynamic properties
of stable molecules and high pressure limit rate coefficients for reactions.

For theory, strucutre of input file and examples the user is referred to the Manual.


About

Calculate thermochemical and kinetic quantities from spectroscopic/quantum data.

Resources

Stars

Watchers

Forks

Packages

No packages published