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xtbout.json not written for GFN-FF #745

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xtbout.json not written for GFN-FF#745
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easy to fixThis issue has a low difficulty and little entry-barrier, great to get started with this projectenhancementNew feature or request
@nielskm

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@nielskm
nielskm
opened on Jan 3, 2023

The xtbout.json file that should be written when passing the --json flag is not generated when running GFN-FF calculations.

To Reproduce
Running xtb <some-molecule.xyz> --gfnff --json produces no JSON output file.

Additional context
xtb version: 6.5.1

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    easy to fixThis issue has a low difficulty and little entry-barrier, great to get started with this projectenhancementNew feature or request

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