Operator Arithmetic support to dipole_moment() in qchem
#4189
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Jaybsoni
commented
May 30, 2023
|
[sc-38629] |
Codecov Report
@@ Coverage Diff @@
## master #4189 +/- ##
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Coverage 99.77% 99.77%
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Files 347 347
Lines 31442 31442
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Hits 31371 31371
Misses 71 71 |
soranjh
reviewed
Jun 13, 2023
soranjh
approved these changes
Jun 13, 2023
obliviateandsurrender
approved these changes
Jun 13, 2023
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Context:
Now that the new operator arithmetic machinery is integrated with pennylane (via
enable_new_opmath()), we want to start making use of it across the codebase, specifically in the qchem module.As of this PR #4138, the qubit observable function was updated to return an arithmetic operator if
active_new_opmath()isTrue. This function is called implicitly in other functions in qchem, these functions now also return arithmetic operators.Description of the Change:
Just added tests because this is already supported due to
qubit_observable()supporting OP math.Benefits:
We are slowly moving away from
Hamiltonianand adopting the new machinery we have!