i-pi with bias simulations

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rafal gorniak

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Nov 26, 2024, 6:34:04 AM11/26/24

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Hi All,

I'm looking for a simple example of the bias simulation using an i-pi software with cp2k.

Generally my goal is to perform a DFT simulations but at some point I must modify a forces (from the external program). Does anyone of you had a similar case?

best,

Rafal

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