[ase-users] What is the command to write extended XYZ file?
Dong gi Kang
kdg4206 at gmail.com
Thu Dec 10 00:52:37 CET 2020
Hi ase users,
I would like to generate extended xyz file which includes forces and energies.
I have tried the two commands but they are not working (only collects atom positions and momenta, no forces and energies)
```
from ase.io import write
Write(write('./tmp/atoms_db.xyz', db) #
Write(write('./tmp/atoms_db.xyz', db, write_results=True) # both are not including forces and energies
` ` `
Many thanks in advance.
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