Quantum or Mixed quantum-classical dynamics =========================================== This is a quantum dynamics and mixed quantum-classcal module, including: (TBA) .. automodule:: openms.qmd :members: :undoc-members: :show-inheritance: .. Program reference .. ----------------- Basic electronic structure driver ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. automodule:: openms.qmd.es_driver :members: :undoc-members: :show-inheritance: Basic MD and BOMD modules ^^^^^^^^^^^^^^^^^^^^^^^^^ .. automodule:: openms.qmd.bomd :members: :undoc-members: :show-inheritance: Basic Mixed quantum-class module ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. automodule:: openms.qmd.mqc :members: :undoc-members: :show-inheritance: Trajectory Surface Hopping (TSH) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. automodule:: openms.qmd.tsh :members: :undoc-members: :show-inheritance: Coupled-Trajectory MQC (CTMQC) and Ab initio Multiple Cloning (AIMC) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. automodule:: openms.qmd.aimc :members: :undoc-members: :show-inheritance: Exact-Factorization based Coupled-Trajectory MQC (XF-CTMQC) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^