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--restart not working and faulty convergence with wrong restart files
Describe the bug
The --restart flag does not create any restart files when a calculation is not converging.
To Reproduce Steps to reproduce the behaviour:
- Happens with struc.zip using
xtb --restart struc.xyzusingxtb 6.7.1. The failed convergence is an expected behavior. - Using
xtb 6.3.0restart files can be created that can be read in and lead to convergence with faulty Wiberg bond orders and wrong topology.