Well-Tempered Metadynamics

Queries about input and output files, running specific calculations, etc.


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florianj
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Well-Tempered Metadynamics

#1 Post by florianj » Tue Nov 03, 2020 3:17 am

Is well-tempered metadynamics implemented in VASP? If so, what keywords can I use to adjust the gaussian height over time? Thanks!
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ferenc_karsai
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Re: Well-Tempered Metadynamics

#2 Post by ferenc_karsai » Thu Nov 05, 2020 8:14 am

Well-tempered metadynamics is currently not available in the code.
But it's on the to do list and will become available in future releases.
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alex
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Re: Well-Tempered Metadynamics

#3 Post by alex » Fri Nov 06, 2020 7:53 am

Hi florianj,

maybe this will help: https://www.plumed.org/

Cheers,

alex
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