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…ink I'm right. Deprecated.
…number on the upper bound and should significantly improve numerical stability of the cpr rootfinder.
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Fixes #338
Description
Updates rcpr to latest version.
Deprecates root polishing - on testing with rcpr's new python interface, as far as I can tell, nothing is gained with root polishing for doca-type problems.
Implements Boyd's semi-infinite domain transformation before rootfinding (see Boyd, Solving Transcendental Equations, 2014, sections B.3 and A.5) - this restricts the rootfinding range to [0, 1] where the CPR is much better behvaved, increasing numerical stability and reducing requirements on N and epsilon.
Tests
examples/test_morse.py,cargo test, and an in-progress MD benchmark.