Pass total QM charge to _calculate_energy_and_gradients inside sire c…#74
Merged
lohedges merged 2 commits intochemle:develfrom Mar 24, 2026
Merged
Pass total QM charge to _calculate_energy_and_gradients inside sire c…#74lohedges merged 2 commits intochemle:develfrom
lohedges merged 2 commits intochemle:develfrom