proteneer / timemachine

Differentiate all the things!
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Stagger interpolation for core torsions that are turning on or off. #1423

Closed proteneer closed 1 week ago

proteneer commented 1 week ago

This PR addresses issues where a core torsion is turning from off to on with a dependency on a non-linear angle terms. For example, morphing a linear H-C#C-H into a H-O-O-H requires us to first partially convert the angles before we turn on the associated torsion. This PR also adds a system constraint to ensure that torsions (both propers and impropers) are never defined over linear angles.

Note that dummy torsions that are being turned on/off are already interpolated at the 0.7 to 1.0 range.