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Closes 151 #162

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JonathonMisiewicz
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Description

Closes #151.

User Notes

  • Frozen orbitals with QPE are now supported.

Checklist

  • Added tests for newly working features
  • Ready to go!

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@imagoulas imagoulas left a comment

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Currently, there are 3 tests that fail on my end.

In line 50 of utils/trotterization.py there is a troterized_operator that needs to be replaced by trotterized_operator. This will fix 2 of the 3 failing tests.

The third failing test is test_freeze_orb_qpe. I am getting
assert -28.736737051008387 == -28.747184707540754 ± 1.1e-03
Maybe you will need to play with the QPE parameters a little bit to make it pass.

@@ -24,7 +24,9 @@ def run(self,
guess_energy : A guess for the eigenvalue of the eigenspace with which |0>^(n)
has greatest overlap. You should be confident the ground state is within
t : A scaling parameter that controls the precision of the computation. You should
confident that the eigenvalue of interest is within +/- t of the guess energy.
confident that the eigenvalue of interest is within +/- 2pi/t of the guess energy.
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Replace "confident" by "be confident", or something similar.

@@ -31,3 +31,26 @@ def test_freeze_orb_ucc(self, method, options):
Efci = -28.747184707540754

assert Egs == approx(Efci, abs=1.0e-10)

def test_freeze_orb_qkd(self):
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Replace "qkd" by "qpe".

@JonathonMisiewicz
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I swear I had the test_freeze_orb_qpe test working this morning.

Most of those are trivial, but I'm seeing evidence of another bug in the code. I'll deal with it, although I'm not happy that the situation was this bad. Thanks for catching that something was amiss.

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Frozen QPE
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