Fix error in the calculation of 'v_core' in the 'two_particle' function #825
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agran2018
added
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Codecov Report
@@ Coverage Diff @@
## master #825 +/- ##
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Coverage 91.05% 91.05%
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Files 129 129
Lines 8678 8678
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Hits 7902 7902
Misses 776 776
Continue to review full report at Codecov.
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ixfoduap
approved these changes
Sep 25, 2020
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Context:
Generalization of PL-QChem to build arbitrary electronic Hamiltonians
Description of the Change:
Fix error in the calculation of the contribution of core orbitals to two-particle operators in the function
two_particle.Benefits:
The contribution of core orbitals is computed correctly.
Possible Drawbacks:
None
Related GitHub Issues:
None