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adelq / thermochem

Useful Python modules for Thermodynamics and Thermochemistry
http://thermochem.readthedocs.io
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Phases missing when using Burcat DB #1

Closed adelq closed 8 years ago

adelq commented 9 years ago

Steps to reproduce:

>>> from thermopy.burcat import Elementdb
>>> db = Elementdb()
>>> print db.search('H2O')
['*CH2ONO2 RADICAL', 'CH2O', 'CH2OH RADICAL', 'CH2OH+', 'NCCH2O   RADICAL', 'NCCH2OO    HF298', 'C2H2O KETENE', 'C2H2O2 Oxyranone', 'C2H2O4 HO-CO-CO-OH', 'NCCH2OH', 'CH2CH2OH Radical', '1-C10H7CH2CH2OH', 'H2O(s)', 'H2O', 'H2O2(L)', 'H2O2 DOROFEEVA e', 'NH2OH']

Only gets the H2O(s), H2O, but no H2O(l) which can be seen in the BURCAT_THR.xml (line 74483)

ZGainsforth commented 8 years ago

My allphases pull request should fix this bug.