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Question: Conquest's ASE interface module location #167
The documentation mentions that an ASE interface is available, however, I checked the current master branch of ASE and its still not available there.
May I ask where it might be (if its already available)?
Edit: I've also tried to use the 3.22.1 verison of ase with the from ase.calculators.conquest import Conquest but it simply results to ModuleNotFoundError.
Dear Kurt,
the Conquest interface for ASE should be available very soon on ASE github.
Meanwhile, I can provide a local copy if you want.
Regards,
Lionel
Le mar. 28 févr. 2023 à 14:45, Kurt Irvin Rojas ***@***.***>
a écrit :
________________________________
Dr. Lionel A. Truflandier
The CONQUEST code has been released! check at http://www.order-n.org
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Theoretical Chemistry & Modeling Group
Institut des Sciences Moléculaires
Université Bordeaux
351 Cours de la Libération
33405 Talence, France
+33(0)5 4000 2794
***@***.*** ***@***.***>
***@***.***
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lionelalexandre commentedon Feb 28, 2023
kimrojas commentedon Mar 1, 2023
Dear Lionel,
Thank you for the reply.
Yes. I would appreciate a local copy.
Best regards,
Kurt