[CP2K:7264] libint2
Johannes Wagner
johanne... at gmail.com
Fri Jan 15 15:22:48 UTC 2016
thanks for the info!
On Wednesday, December 23, 2015 at 9:02:58 AM UTC+1, jgh wrote:
>
> Hi
>
> 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.
>
> regards
>
> Juerg
> --------------------------------------------------------------
> 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
> <javascript:>
> Winterthurerstrasse 190
> CH-8057 Zürich, Switzerland
> ---------------------------------------------------------------
>
> -----cp... at googlegroups.com <javascript:> wrote: -----To: cp2k <
> cp... at googlegroups.com <javascript:>>
> From: Johannes Wagner
> Sent by: cp... at googlegroups.com <javascript:>
> 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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