Question: Conquest's ASE interface module location

[kimrojas]

Hi

I'm currently trying to explore conquest.

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.

Thank you.

[lionelalexandre]

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 :

…

Hi I'm currently trying to explore conquest. The documentation <https://conquest.readthedocs.io/en/latest/ext-tools.html#atomic-simulation-environment-ase> 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)? Thank you. — Reply to this email directly, view it on GitHub <#167>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ADIMB766MW77SGKPUQ4Z5YDWZX6PNANCNFSM6AAAAAAVKX3HU4> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

--

________________________________ Dr. Lionel A. Truflandier The CONQUEST code has been released! check at http://www.order-n.org ___ Theoretical Chemistry & Modeling Group Institut des Sciences Moléculaires Université Bordeaux 351 Cours de la Libération 33405 Talence, France +33(0)5 4000 2794 ***@***.*** ***@***.***> ***@***.***

[kimrojas]

Dear Lionel,

Thank you for the reply.
Yes. I would appreciate a local copy.

Best regards,
Kurt

[kimrojas]

@lionelalexandre Hi, may I follow up on this ? Thank you.