Thermochemistry Package Implemented in Pure Julia
This package offers tools to compute partition functions and thermochemistry state functions.
Here is an example about computing thermochemistry data of CH2 (methylene) only using optimized geometry and vibrational frequencies.
The Netsuriki.jl
package is licensed under the BSD-2-Clause License. The original author is mizu-bai.
熱力学(ねつりきがく) means thermodynamics in Japanese, so I named this package Netsuriki.jl
, which is the pronunciation of 熱力(ねつりき).