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It should print the following table, but it doesn't.
Geometry (in Angstrom), charge = 0.0, multiplicity = 1:
Center X Y Z
------------ ----------------- ----------------- -----------------
C 0.776479871994 1.156134463385 0.121542591228
C 0.438429690334 0.679567908122 -1.141595091975
C 0.439577078821 0.423533055514 1.255585387764
...
This behavior is reproduced on a Mac client installation and on the Binder.
It is not a big deal, but I guess you want to update the tutorial page accordingly.
The text was updated successfully, but these errors were encountered:
Hi! Following the tutorial at https://qcarchivetutorials.readthedocs.io/en/latest/cookbook/molecules.html I run the following code in a Jupyter-notebook:
It should print the following table, but it doesn't.
Instead it prints
Molecule(name='C9H12', formula='C9H12', hash='572b510')
This behavior is reproduced on a Mac client installation and on the Binder.
It is not a big deal, but I guess you want to update the tutorial page accordingly.
The text was updated successfully, but these errors were encountered: