[CP2K-user] low-curvature projector (LCP) method

Joe Greenstone green... at pobox.com
Sat May 2 02:11:53 UTC 2020


A number of questions referring to

I gather that the LCP code is already in development status CP2K.

(1) Is this code expected to be good to go, or is it known that further 
work is necessary before it sees use?
(2) Is it anticipated that this code is applicable as is to proteins, or is 
further work necessary?
(3) Is it believed that this will work as is with ALMO-EDA to give 
intramolecular fragment analysis?
(4) Does this code work with GPU acceleration?

Thanks in advance.
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