[CP2K:7264] libint2

hut... at chem.uzh.ch hut... at chem.uzh.ch
Wed Dec 23 08:02:54 UTC 2015


yes it is an API problem. Nobody took the time to work on a
new interface. It is on the todo list since a long time.


Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: Johannes Wagner 
Sent by: cp... at googlegroups.com
Date: 12/22/2015 06:26PM
Subject: [CP2K:7264] libint2

dear cp2k community,just starting to use cp2k and wondering why it still uses libint1.x ? libint2 is out for several years and its author state:
"The latest major version of Libint is 2 . Libint2 has been in use internally since 2004; in fact it is more stable than version 1. It has now been improved to production-ready status and officially released on April 25, 2011."
I did not dig down in any code yet, was just wondering if someone here knows if this is some api change from libint1->2 and cp2k is not up for libint2 (yet)?
cheers, Johannes


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