[CP2K-user] low-curvature projector (LCP) method
Joe Greenstone
green... at pobox.com
Sat May 2 02:11:53 UTC 2020
Hi,
A number of questions referring to
https://arxiv.org/abs/2004.05901
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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