Velocity gauge #59
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Velocity gauge #59
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haakoek
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Apr 20, 2021
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This looks fine to me with respect to the solution in choosing length or velocity gauge. It is hard to assess the correctness of the implementation, so if it is possible to device a meaningful test it is desirable. However, I can see that devicing such a test is not straightforward in this case.
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Velocity gauge implemented as an option in DipoleFieldInteraction. This assumes that BasisSet has knowledge of momentum integral arrays. Possibility to set momentum arrays is therefore added to BasisSet.