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NotImplementedError: Interactive NEB is not supported #16

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KS-spec opened this issue Oct 4, 2022 · 1 comment
Open

NotImplementedError: Interactive NEB is not supported #16

KS-spec opened this issue Oct 4, 2022 · 1 comment

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@KS-spec
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KS-spec commented Oct 4, 2022

Hi -

Thank you for your work.
When I use NEBEspresso(NEBEspresso(images)), I received the error(Interactive NEB is not supported).
I would appreciate it if you could please tell me how to handle it.
image

@lmmentel
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NEBEspresso is not designed to run interactively but rather run on a cluster and for that you would need to a SiteConfig spcified

class SiteConfig(with_metaclass(Singleton, object)):
. You can pass an instance of SiteConfig as site argument.

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