update damp function in qeq module

deepmodeling / DMFF

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.

GNU Lesser General Public License v3.0

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update damp function in qeq module #190

Open ChiahsinChu opened 3 weeks ago

ChiahsinChu commented 3 weeks ago

fix bug in qeq gaussian damp function 2, and make eta as gaussian width
spcific constant DIELECTRIC based on scipy.constants