CREST fails when GC step generates no new structures

[msh-yi]

Describe the bug
During Structure Crossing (GC), if no new structures are generated, throws **ERROR** empty ensemble file confcross.xyz and terminates with failures (does not do final energy ranking, etc.)

To Reproduce
crest 3.0.2. Output file attached.

ar3p_Pd_aryl_B_aryl2_neut.runxtb.out.txt

Expected behavior
Would be nice if CREST could catch this error and continue to final optimization, ranking etc.

Thank you!

[pprcht]

That behaviour will be fixed in the next version.
If you have the latest crest_rotamers_X.xyz still accessible, you shouldbe able to run --screen on this to continue. After the GC step there won't be anything else anyways.