[CP2K:4613] ALMO

hut... at pci.uzh.ch hut... at pci.uzh.ch
Tue Sep 17 09:20:34 CEST 2013


Hi

we are almost ready to have the ALMO code added to the trunk
in the SVN repository. There will be some examples in the
regtest directories. 
I expect it will be in in the next couple of days.

regards

Juerg 

--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich               E-mail:  hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
---------------------------------------------------------------

-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Joe Greenstone 
Sent by: cp... at googlegroups.com
Date: 09/15/2013 03:20PM
Subject: [CP2K:4613] ALMO

Hi,
 
Where the new paper "Efficient linear-scaling density functional theory for molecular systems"
http://pubs.acs.org/doi/abs/10.1021/ct400595k
says ALMO methods have been implemented in CP2K, does it mean these new methods are publicly available?
If so, is there an example somewhere of what input parameters and values are required? 
If not, when will these methods be added to the trunk?
 
Most eager to be using improved linear scaling methods.
 
   
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