[CP2K:290] Re: MM_KIND/QM_KIND atom type

Teodoro Laino teodor... at gmail.com
Fri Sep 21 18:02:24 CEST 2007


You need to specify COMMENSURATE in MGRID section..

I will put a check that will stop with an error in case someone  
forgets this keyword for QMMM runs..

Teo
On 21 Sep 2007, at 18:00, Luca wrote:

>     &MGRID
>       CUTOFF 140
>     &END MGRID

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20070921/237b9f56/attachment.html>


More information about the CP2K-user mailing list