[CP2K-user] [CP2K:14419] Re: UFF in CP2K

Anton S. Lytvynenko anton.s.... at gmail.com
Mon Dec 21 11:09:13 UTC 2020


Dear Mauro Sgroi,

21.12.20 01:33, Mauro Sgroi пише:
> sorry for resuming this old post.
> Is UFF implemented in the current version of CP2K?

It's a shame to tell but I actually did not manage to dive into that
development so far -- obviously, simply due to a number of other things
I had to be involved in. Neither I've heard about any other efforts in
that regard.

So, AFAIK, it is not. Despite it still would be nice.

Yours,

Anton




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