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Invalid characters during H2 optimization.

Open Rintontin opened this issue 2 years ago • 0 comments

Hi I have only seen this bug during the optimization of Hydrogen molecule, in which some invalid characters appear at test.out file.

To Reproduce xtb test.xyz --verbose --opt > test.out

I have attached all files, input and output. test-H2.zip

Regards...

Rintontin avatar Aug 18 '23 22:08 Rintontin