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Vibrational structure calculations #1232

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merged 77 commits into from
Sep 25, 2020

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paulineollitrault
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Summary

Related to #1231

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Implementation of methods for vibrational structure calculations

paulineollitrault and others added 30 commits July 15, 2020 17:42
…netic terms. Removed the omega dependance since it's already taken care of by the parser. added the number of modals as a argument such that it can be modulated by the user.
Comment on lines 110 to 111
circuit.u1(-parameters[count] / 4 + np.pi / 4, q[i])
circuit.u1(-parameters[count] / 4 - np.pi / 4, q[r])
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@Cryoris Cryoris Sep 19, 2020

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The U1 gate is being deprecated you should use p (for phase-gate) instead, see also Qiskit/qiskit#5083.

Suggested change
circuit.u1(-parameters[count] / 4 + np.pi / 4, q[i])
circuit.u1(-parameters[count] / 4 - np.pi / 4, q[r])
circuit.p(-parameters[count] / 4 + np.pi / 4, q[i])
circuit.p(-parameters[count] / 4 - np.pi / 4, q[r])

(Also in the other places in the code 🙂)

pbark
pbark previously approved these changes Sep 23, 2020
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pbark commented Sep 23, 2020

can we add a release note and work out the changes on this so that we can merge it ?

@woodsp-ibm
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woodsp-ibm commented Sep 25, 2020

In CHC and UVCC, since num_qubits now defaults to None, can we check in construct _circuit that if the value is None and raise and error (like is done for parameter len check) with a message that num_qubits was not set. This way its a bit more obvious to an end user when they have not done things correctly rather than having to figure things out based on some exception later when it tries to use num qubits when its None.

Update: I added tests to check.

woodsp-ibm
woodsp-ibm previously approved these changes Sep 25, 2020
woodsp-ibm
woodsp-ibm previously approved these changes Sep 25, 2020
@woodsp-ibm woodsp-ibm merged commit daaa939 into qiskit-community:master Sep 25, 2020
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Vibrational Structure Calculations
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