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Energy derivatives wrt nuclear coordinates with order > 2 disagrees with finite differences
bug
Something isn't working
#61
opened Dec 6, 2024 by
chertianser
Orbital response for PM localized orbitals does not appear to agree with finite differences
#59
opened Nov 14, 2024 by
jonas-greiner
ProTip!
What’s not been updated in a month: updated:<2025-01-10.