Box size in CP2K
nedo... at gmail.com
Thu Nov 6 21:27:04 CET 2014
This may be a strange question due to me not paying attention, but let's
say I finished a NPT MD simulation and want to carry over the atomic
positions & box setup to another CP2K simulation, or a different simulator
altogether. The output I find in the XYZ file gives the atomic positions,
but where do I get the box size at the last simulated step? Is there a
special directive in CP2K?
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