fssh

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Python implementation of Tully's Fewest Switches Surface Hopping

fssh

FSSH proposed by Tully in 1990

fssh

Repository associated with article "A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors"

Quantum dynamics

fssh quantum-dynamics

A Fortran code with MPI and Openmp to simulation the non-adiabatic Molecular Dynamics in the solid state Materials.

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