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janaf_data

Open AdityaSavara opened this issue 4 years ago • 2 comments

Expected behavior

janaf_data directory should be made during installation along with a few files.

Actual behavior

janaf_data directory is not automatically put in the right place during installation.

Solution: make janaf_data directory and move some files into it during installation. The Ubuntu installers from the bash script can certainly do that. https://kmcos.readthedocs.io/en/latest/installation/index.html?highlight=janaf#installing-janaf-thermochemical-tables


The read the docs also needs to be updated: https://kmcos.readthedocs.io/en/latest/topic_guides/developers_guide.html The link to the janaf tables is an old link and should be: https://janaf.nist.gov/ and the text should be changed since janaf tables can be distributed, they are not copyrighted.


And the instructions for janaf should refer to the chemical potential question here: https://kmcos.readthedocs.io/en/latest/troubleshooting/index.html

AdityaSavara avatar Mar 16 '22 22:03 AdityaSavara

Suggestion: make the wget as within the steps of save_model which occurs in the build file. At this time, a warning can be given if the wget does not work, then the user knows they have to provide the files.

AdityaSavara avatar Apr 05 '23 15:04 AdityaSavara

During the "add_parameter" command, and/or during save_model, there can be a message displayed that the string has been detected for a JANAF parameter.

AdityaSavara avatar Apr 05 '23 15:04 AdityaSavara