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CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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Issue with ASE #118

Closed lkasillas closed 5 months ago

lkasillas commented 5 months ago

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Version

main

Which OS(es) are you using?

What happened?

I am installing chgnet by doing pip install. I can not run any of the provided examples. I am getting an error due to ASE of which I have the latest stable version.

Code snippet

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Log output

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Code of Conduct

janosh commented 5 months ago

you should also get this warning https://github.com/CederGroupHub/chgnet/blob/44658ecc813732fbb5647d3391fcc5dbfddf8d43/chgnet/model/dynamics.py#L40-L46

is that not showing up?

lkasillas commented 5 months ago

Thanks, I got it to work but I never got that warning.

Luis

From: Janosh Riebesell @.> Sent: Wednesday, January 31, 2024 7:34 PM To: CederGroupHub/chgnet @.> Cc: Luis Casillas Trujillo @.>; Author @.> Subject: Re: [CederGroupHub/chgnet] Issue with ASE (Issue #118)

you should also get this warning https://github.com/CederGroupHub/chgnet/blob/44658ecc813732fbb5647d3391fcc5dbfddf8d43/chgnet/model/dynamics.py#L40-L46

is that not showing up?

— Reply to this email directly, view it on GitHubhttps://github.com/CederGroupHub/chgnet/issues/118#issuecomment-1919703714, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A6VIOD4JV7BSAVJZ66CMC6TYRKFDJAVCNFSM6AAAAABCTRRBC6VHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTSMJZG4YDGNZRGQ. You are receiving this because you authored the thread.Message ID: @.***>