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Nuclear repulsion doesn't do anything #75

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kimt33 opened this issue Oct 6, 2018 · 0 comments
Open

Nuclear repulsion doesn't do anything #75

kimt33 opened this issue Oct 6, 2018 · 0 comments
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kimt33 commented Oct 6, 2018

Setting the nuclear-nuclear repulsion in the Hamiltonian does not actually do anything.

It should add it to the computed energies in the objective.
@kimt33 kimt33 added the bug label Oct 6, 2018
@kimt33 kimt33 mentioned this issue Mar 3, 2019
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kimt33 added a commit that referenced this issue Mar 28, 2019
@kimt33
Fix ambiguous energy printout in the script
5df4f74 
Printed "Final Energy" was actually the electronic energy. Appropriate terms
were added to help clarify the type of energy printed.

Addresses Issue #75
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