[ase-users] Grand Canonical Ensemble
Christopher Wright
cjwright4242 at gmail.com
Fri Aug 21 16:04:14 CEST 2015
Hi all,
I am developing some code to run simulations in the grand canonical
ensemble using ASE. The code works fine (from what I can tell, the number
of atoms correctly fluctuates) but when I go to visualize the atoms using
ase-gui I get an error message about "Bad number of atoms!". Would it be
possible to have ase-gui and the trajectory writer support trajectories
with a variable number of atoms?
Thank you very much,
Christopher Wright
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