[CP2K:1017] STRESS_TENSOR in QM/MM

Teodoro Laino teodor... at gmail.com
Thu May 8 08:20:19 UTC 2008


Hi Bart,

if you check in the old post on this group you will find that the  
stress tensor is not implemented for QMMM
runs.

Cheers
Teo

On 8 May 2008, at 10:18, Bart De Sterck wrote:

> I only have this problem when using QM/MM, with FIST everything runs
> fluently without any problem.
>
> Could you help me out on this or give some advice on how to make it
> work?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080508/1c4f49e4/attachment.htm>


More information about the CP2K-user mailing list