@@ -244,7 +244,12 @@ simulation through an effective Hamiltonian.
./modules/G-CTMQC/readme
The **G-CTMQC** module extends the previous **CTMQC** module, introducing new methodological and technical features. G-CTMQC is interfaced with the **QuantumModelLib** library of potentials, which gives more flexibility in the choice of systems that can be studied. The present implementation allows to perform surface hopping calculations, also with inclusion of energy decoherence corrections, and Ehrenfest dynamics, as well as CT-MQC calculations. Finally, spin-orbit coupling is included in CT-MQC (G-CT-MQC algorithm).
The **G-CTMQC** module extends the previous **CTMQC** module, introducing new methodological and
technical features. G-CTMQC is interfaced with the **QuantumModelLib** library of potentials,
which gives more flexibility in the choice of systems that can be studied. The present
implementation allows to perform surface hopping calculations, also with inclusion of energy
decoherence corrections, and Ehrenfest dynamics, as well as CT-MQC calculations. Finally,
spin-orbit coupling is included in CT-MQC (G-CT-MQC algorithm).