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Add diffuse basis sets (6-31+G*, 6-31++G**, aug-cc-pVDZ, def2-SVPD) - #148

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NCCU-Schultz-Lab merged 2 commits into
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claude/hopeful-noether-w39vs3
Oct 14, 2026
Merged

Add diffuse basis sets (6-31+G*, 6-31++G**, aug-cc-pVDZ, def2-SVPD)#148
NCCU-Schultz-Lab merged 2 commits into
mainfrom
claude/hopeful-noether-w39vs3

Regenerate calc_log basis-function counts from PySCF

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