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ryanmrichard
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Jul 25, 2025
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ryanmrichard
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I'm just going to assume you tested or will test the script changes. Everything else LGTM.
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🚀 [bumpr] Bumped! |
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Description
Adds module that return pre-computed atomic density matrices and the SAD guess density made from those pre-computed values. Depends on NWChemEx/SimDE#165.