How to specify the direction in uniaxial MSST simulation

Yiyang yiyan... at asu.edu
Mon Jan 2 20:00:33 UTC 2017


Hello,

The uniaxial MSST simulation,

https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/MD/MSST.html

always compresses the box in x direction. Is there a way to specify the 
direction other than x direction?


Besides, there is a 'HYDROSTATICSHOCK' ensemble listed in the manual:

https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/MD.html

However, no example using this ensemble is provided in version 4.1.
Is there some examples we can learn from to use this keyword?

Thank you.

Regard,
Yiyang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170102/9e57baa1/attachment.htm>


More information about the CP2K-user mailing list