CDTK
Contents:
Installation of CDTK
Example (GAMESSUS): Sampling initial conditions for a water molecule
Example (GAMESSUS): Excited H
2
O
+
in external electric field (BO+FSSH)
Example (GAMESSUS): Dynamics of H
2
+
Fewest Switches Surface Hopping.
Example (XMOLECULE): Dynamics of H
2
O
+
with a classical electron
Example (XMOLECULE): H
2
O exposed to x-ray pulse
Example (XMOLECULE): H
2
O
+
hole dynamics
Example (XMOLECULE): Liquid water (embedded QM/MM)
Description of file formats
CDTK
CDTK package
Subpackages
CDTK.Dynamics package
CDTK.Interfaces package
CDTK.Models package
CDTK.Tools package
Submodules
Module contents
CDTK
CDTK
CDTK package
CDTK.Dynamics package
CDTK.Dynamics.populationdynamic module
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CDTK.Dynamics.populationdynamic module