CNEO−DFT

siyara chandrawansha

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Aug 15, 2025, 8:56:55 AMAug 15

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Hi , I would like to know whether CNEO−DFT is now available in the CP2K for everyone to use ?

Thomas Kühne

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Aug 15, 2025, 10:21:25 AMAug 15

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Not yet, but according to the authors is supposed to come soon …

Greetings,

Thomas Kühne

Am 15.08.2025 um 14:53 schrieb siyara chandrawansha <siyara...@gmail.com>:

Hi , I would like to know whether CNEO−DFT is now available in the CP2K for everyone to use ?

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Konstantin Tokarev

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Aug 16, 2025, 10:30:22 AMAug 16

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пятница, 15 августа 2025 г. в 15:56:55 UTC+3, siyara chandrawansha:

Hi , I would like to know whether CNEO−DFT is now available in the CP2K for everyone to use ?

If I understand correctly, that code is publicly available at https://github.com/theorychemyang/cp2k (in "cneo" branch)

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