force field path integral simulations

Anthony Reilly anthony.... at gmail.com
Wed Oct 31 15:32:18 UTC 2007


Hi,
Apologies if this is a silly question but can CP2K do PIMD with
forcefields? Hard to tell just from the keyword list what exactly it
can and can't do. If it can do it are there any particular limitations
on the types of potentials (i.e. intermolecular only etc)?

Thanks,

Anthony




More information about the CP2K-user mailing list