[Pw_forum] PLUMED plug-in for quantum ESPRESSO available
marsamos at democritos.it
marsamos at democritos.it
Wed Mar 31 15:47:14 CEST 2010
Dear users
the PLUMED plug-in for quantum ESPRESSO version 4.1.x is now available
at http://qe-forge.org/frs/?group_id=10 (the download page at
www.quantum-espresso.org will be updated soon). PLUMED
(http://merlino.mi.infn.it/~plumed/PLUMED/) allows to perform
metadynamics calculations with quantum ESPRESSO (and many other codes).
It replaces and supersedes the current implementation of metadynamics.
In the same page you will find patches for minor bugs (as a diff file)
for quantum ESPRESSO 4.1.2 . For details on the installation of patches
see the user guide
(http://www.quantum-espresso.org/user_guide/node8.html).
Bests
Paolo and Layla
--
Dr. L. Martin-Samos
tel. +39 040 3787 429
CNR-DEMOCRITOS and
International School for Advanced Studies (ISAS-SISSA)
via Beirut 2-4
34151 Trieste Italy
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