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@fjclark fjclark commented Dec 1, 2025

Description

descent/tests/targets/test_energy.py::test_predict was failing as the expected bond energy component was removed due to the presence of H-bond constraints in the force field. Using the unconstrained version of the force field ensures that this energy component is not removed.

Status

  • Ready to go

Test was failing as expected bond energy component was missing due to
the presence of H-bond constraints in the force field.
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