Sort database by formula and improve oxi_state_guesses - Githubissues

KingsburyLab / pyEQL

A Python library for solution chemistry

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Sort database by formula and improve oxi_state_guesses #42

Closed rkingsbury closed 1 year ago

rkingsbury commented 1 year ago

Summary

Change format of Solute.oxi_state_guesses
Expand oxi_state_guesses to cover more species
sort database file by formula