materialsproject/reaction-network

`NISTReferenceEntry` is sometimes incorrect for phases with multiple entries having different formulas

mattmcdermott opened this issue · 1 comments

There is a bug in the generate_janaf_data.py script used to create the nist/compounds.json.gz file used in the NISTReferenceEntry class.

The issue arises when there are phases with entries having different formulas; for example, "ClK (cr,l)" and "Cl2K2 (g)".

I am working on a fix for this and will merge in a PR very soon.

Closing with #90