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mem opt flag reference ctest output made same as no mem opt flag
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phanimotamarri committed Sep 18, 2024
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Expand Up @@ -65,7 +65,7 @@ SCF iterations converged to the specified tolerance after: 36 iterations.

Energy computations (Hartree)
-------------------
Total energy: -1666.91407284
Total energy: -1666.91407297

Absolute values of ion forces (Hartree/Bohr)
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