[CP2K-user] [CP2K:16688] A question about implementation of electrostatics with induced dipoles in CP2K

[Jürg Hutter]

Hi

can you give a short input example? I cannot see what method you are referring to.

regards

Juerg Hutter

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Ljiljana Stojanovic <stojanovicmljiljana at gmail.com>
Sent: Wednesday, March 9, 2022 1:30 AM
To: cp2k
Subject: [CP2K:16681] A question about implementation of electrostatics with induced dipoles in CP2K

Dear CP2k developers,

Excuse me to disturb you. I was wondering if I could ask you a question about some new implementations in the developers’ version (10.0) of the CP2K code. We have recently noticed a new implementation of the multipoles in the treatment of the electrostatics. We would like to apply this method in our simulations.
I have compiled this version of the code (the current master brunch) and was able to run some preliminary dynamics with Ewald method and with the induced dipoles included.
We were wondering whether this implementation was already tested and ready to use. Apart from that, I was wondering if you could please recommend us
the references that describe the implemented method. It would be very appreciated.
Thank you very much for your help!

Best wishes, Ljiljana

--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/5e456fb5-76f0-4a5b-bcde-7bdf89a45e10n%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/5e456fb5-76f0-4a5b-bcde-7bdf89a45e10n%40googlegroups.com?utm_medium=email&utm_source=footer>.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ZR0P278MB07593486DC144E116FB377E69F0A9%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM.