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rdkit/Code/ForceField/FiniteDifference.cpp
Kevin Boyd bbee5fedb0 Fix bug in inversion term for UFF, add finite difference checker. (#9228) 
* Fix copyright

* Address review comments

Removed finite diff from RDKit headers

Used explicit coordinates
2026-04-23 06:21:42 +02:00

1.3 KiB
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