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Add Qunova Chemistry notebook #2741
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Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
@frankharkins @arnaucasau do we have a standard way to truncate or make scrollable extremely long output, like here? |
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Looks great, thank you everyone for the hard work for this one
Given that it's a code cell, I think we could truncate the output by using an ellipsis like with the eigenvectors. The output could be: "energy": np.float64(-55.521064587741876),
"eigenvector": array(
[
9.82446681e-01,
9.53706109e-03,
3.09707825e-06,
...,
-1.79658131e-07,
3.41576228e-09,
1.58456937e-03,
]
),
"states": [
"1111111111000000",
"1111111110010000",
"1111111011010000",
"...",
"1100011011001111",
"1001011011001111",
"1100001111001111",
], What do you think? @abbycross @frankharkins @pandasa123 |
@arnaucasau you mean manually edit the notebook output? I think that makes sense for now. When we get round to making the notebook fully executable, we can do something like this to skip most of the states. result = job.result()
print(f"""Energy: {result['energy']}
Eigenvector: {result['eigenvector']}
First ten states: {result['states'][:10]}
""") |
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Approving now, you can either merge now and follow up with the shortened output, or merge both in one PR.
Agreed! I'll change the notebook here and merge the PR 👍 Thanks Frank! |
Thanks @frankharkins and @arnaucasau !! |
This PR adds the Qunova Chemistry notebook