choiboii / llnl-nist-conv Goto Github PK

NIST Conversion Scripts for LLNL: (Created in July 2021)

A conversion script in which it can take user input for either single or multiple elements from the periodic table. The script requires minimal user setup; it only requires Scipy and Python, and the script can be run with NIST_conversion.py. The script utilizes a couple of .txt files scrapped from NIST.gov using BeautifulSoup.

Supported conversions for entropy: (Entropy conversions start with "S")

• J/mol/k <-> kB/atom
• erg/g/K (cgs) <-> kB/atom
• J/g/K (SI units) <-> kB/atom
• Mbar-cc/g/K (bdivK) <-> kB/atom
• J/mol/K <-> J/g/K
• J/g/K <-> erg/g/K (cgs)
• Mbar-cc/g/K (bdivK) <-> J/g/K

Supported conversions for energy: (Energy conversions start with "E")

• kJ/mol <-> meV/atom
• eV/atom <-> er/g
• J/g <-> eV/atom
• Ry/atom <-> eV/atom
• Ry/atom <-> erg/g