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Pass total QM charge to _calculate_energy_and_gradients inside sire c…#74

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lohedges merged 2 commits intochemle:develfrom
kzinovjev:devel
Mar 24, 2026
Merged

Pass total QM charge to _calculate_energy_and_gradients inside sire c…#74
lohedges merged 2 commits intochemle:develfrom
kzinovjev:devel

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