[Pw_forum] Patching espresso 5.4.0 with plumed 2.0

Paolo Giannozzi p.giannozzi at gmail.com
Wed Jul 6 12:24:01 CEST 2016


On Wed, Jul 6, 2016 at 11:35 AM, Ongari Daniele <daniele.ongari at epfl.ch> wrote:

> I would like to patch the latest version of quantum espresso 5.4 with Plumed 2.0

you cannot. The API of Plumed have undergone significant changes
between v.1.3 and v.2. Interfacing QE with Plumed 2 is obviously
possible but it requires some significant
 effort

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222



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