[ase-users] Grand Canonical Ensemble

[James Kermode]

> On 21 Aug 2015, at 22:06, Christopher Wright <cjwright4242 at gmail.com> wrote:
> 
> Is there a good gui for systems where the number of atoms change?

OVITO (www.ovito.org) supports changes in the numbers of atoms from one frame to the next, and can read the extended XYZ (.xyz) and NetCDF trajectory (.nc) formats written by ASE.

James.
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