[Pw_forum] PLUMED and Quantum-ESPRESSO
p.giannozzi at gmail.com
Thu Jun 11 22:10:55 CEST 2015
The patch for plumed v.1.3 was just updated in the svn version (to be
released on june 20) and should work for CP as well. The patch for plumed
v.2.0.5 may require some more work.
On Wed, Jun 10, 2015 at 4:55 PM, Giovanni La Penna <glapenna at iccom.cnr.it>
> Dear Quantum-ESPRESSO users and developers,
> The patch to plug PLUMED 2.0.5 into quantum-espresso 5.0.2
> (as released in the PLUMED 2.0.5 distribution)
> works only on the PW code. Does this mean that any project
> to plug PLUMED 2.0 into the Quantum-ESPRESSO CP code
> has been abandoned? I hope not.
> Any experimental patch of PLUMED 2.0 (PLUMED 1.0 works
> fine) for Quantum-ESPRESSO/CP (5.0.2 or later)
> is welcome for testing.
> Thank you,
> Giovanni La Penna
> National research council of Italy (CNR)
> Institute for chemistry of organometallic compounds (ICCOM)
> Sesto Fiorentino (Firenze), Italy
> tel.: +39 0555225264 / skype: giovannilapenna
> Pw_forum mailing list
> Pw_forum at pwscf.org
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
hone +39-0432-558216, fax +39-0432-558222
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