Nonadiabatic Molecular Dynamics

The pyqed.namd package contains adiabatic and diabatic wavepacket dynamics utilities.

Main source modules:

  • pyqed.namd.adiabatic

  • pyqed.namd.diabatic

  • pyqed.namd.ldrfg

This page is static because several legacy NAMD helper files are not currently valid importable Python modules, which makes autodoc unsuitable for RTD.