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Fix MI-FNO link #169

Merged
merged 26 commits into from
Jun 28, 2022
Merged

Fix MI-FNO link #169

merged 26 commits into from
Jun 28, 2022

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alexfleury-sb
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Several key points:

  • We need to fetch the relevant fragment results with the get_results function in qemist_client. The mo_coeffs are not available anymore in the MI results.
  • We don't need all the fragment results to compute a FermionOperator, but we do need all of them to redo the MI energy summation (epsilon are function of the correlation energies, and this info is only available in the fragment result dictionaries).
  • I have chosen the sto-3g basis for the HF example in the notebook. It makes the QITE quick to run. A drawback of this is that there is no FNO truncation (all correction are 0.0).
  • 3 files are important (the other ones are hdf5 and json files).

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@ValentinS4t1qbit ValentinS4t1qbit left a comment

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Good job Alexandre, thank you for fixing this

@ValentinS4t1qbit ValentinS4t1qbit merged commit 2c563fd into develop Jun 28, 2022
@ValentinS4t1qbit ValentinS4t1qbit deleted the fix_mifno_link branch June 28, 2022 06:57
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2 participants