[CP2K-user] [CP2K:15701] PME Methods with Multipole Polarization

[Jacob Tellez]

Hello,

Thanks for the information. 

Best,
Jacob Tellez

On Wednesday, July 7, 2021 at 2:17:11 AM UTC-6 jgh wrote:

> Hi
>
> multipole Ewald sums are only possible with the standard method.
>
> regards
>
> Juerg Hutter
> --------------------------------------------------------------
> Juerg Hutter Phone : ++41 44 635 4491 <+41%2044%20635%2044%2091>
> Institut für Chemie C FAX : ++41 44 635 6838 <+41%2044%20635%2068%2038>
> Universität Zürich E-mail: h... at chem.uzh.ch
> Winterthurerstrasse 190
> CH-8057 Zürich, Switzerland
> ---------------------------------------------------------------
>
> -----c... at googlegroups.com wrote: -----
> To: "cp2k" <c... at googlegroups.com>
> From: "Jacob Tellez" 
> Sent by: c... at googlegroups.com
> Date: 07/06/2021 05:42PM
> Subject: [CP2K:15701] PME Methods with Multipole Polarization
>
> Greetings all,
>
> I have been setting up a classical MD simulation using the dipole 
> polarization routines. It seems to me that I can only use the standard 
> Ewald sum with the multipole polarization methods. Is this true, or is 
> there some way to employ the PME or SPME summations in combination with the 
> dipole routine. 
>
> Thank you in advance. 
>
>
>
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