| 4:11:32 AM PST - Thu, Feb 25th 2016 |
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Dear all,
I was wondering whether the code for producing CML as output from NWChem calculations was released publicly/as a branch of NWChem, and where would I be able to find it?
The paper title and DOI I'm referring to are:
From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language (DOI:10.1186/1758-2946-5-25)
I'm interested in using CML to store information from calculations, and this code would be useful in interfacing with NWChem directly.
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