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Added a module to QM that doubles the number of frames in an NEB by interpolating between each pair in points in the NEB using ORCA's NEB-IDPP function.

@davidkastner davidkastner merged commit 3b0d6f5 into main Sep 6, 2025
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@davidkastner davidkastner deleted the neb-doubler branch September 6, 2025 19:35
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