fssh

This is a mirror. See https://gitlab.com/team-parker/mudslide for development

FSSH proposed by Tully in 1990

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

从 Tully 最小面跳跃（FSSH）推导到 PYXAID / CP2K 实操的中文教程，附支持变胞（晶胞随轨迹变化）的 CP2K 高斯基 NAC 实现。

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

Quantum dynamics