search

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
151 stars 43 forks source link

fix bug in example #155

Closed ChiahsinChu closed 8 months ago

ChiahsinChu commented 9 months ago

The dmff.Hamiltonian.createJaxPotential should be updated to dmff.Hamiltonian.createPotential in the current version.