How to cancel the output of xyz file

duartegroup / autodE

automated reaction profile generation

https://duartegroup.github.io/autodE/

MIT License

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Open well-zt opened 2 days ago

well-zt commented 2 days ago

Hi, I'm conducting single point calculation via autodE. By defult, the xyz file of atoms will be printed automatically,

%output 
xyzfile=True

How can I cancel the output of xyz file?

t-young31 commented 2 days ago

Unfortunately, I don't think it's possible – autodE reads that file for the output geometry from the calculation. It's added in