Question about energy contributions related to "coefficients" in node features
pmorerio opened this issue · 0 comments
pmorerio commented
Dear authors,
I am sorry for the possibly trivial question: while it is clear to me the contribution to energies related to harmonic bonds within apply_bond
espaloma/espaloma/mm/energy.py
Line 286 in 13af90b
could you please explain this contributions to energy which are calculated based on linear mixture?
espaloma/espaloma/mm/energy.py
Line 279 in 13af90b
What are coefficients in node features?