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ValeevGroup / SeQuant

SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
GNU General Public License v3.0
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Invalid example for spintracing #213

Open Krzmbrzl opened 3 months ago

Krzmbrzl commented 3 months ago

In https://github.com/ValeevGroup/SeQuant/blob/7f31851a857ed8ebbacc80a311717c2707e32eb6/tests/unit/test_spin.cpp#L279-L285 the spintrace function is fed the given expression with the information that i_1 and a_1 are external indices that belong to a single particle (group). However, the given expression is a full contraction leading to a scalar and thus the expression doesn't have any external indices. Therefore, I believe that this test case doesn't make sense in its current form :thinking:

Krzmbrzl commented 3 months ago

Actually, it seems that this issue is present in the entire block https://github.com/ValeevGroup/SeQuant/blob/7f31851a857ed8ebbacc80a311717c2707e32eb6/tests/unit/test_spin.cpp#L267-L326