All modules for which code is available
- CDTK.Dynamics.Constraints
- CDTK.Dynamics.EhrenfestDyn
- CDTK.Dynamics.FieldCouplings
- CDTK.Dynamics.IniConSampler
- CDTK.Dynamics.InputfileSH
- CDTK.Dynamics.MCElectronDynamics
- CDTK.Dynamics.MDIntegrators
- CDTK.Dynamics.MINTF_DH
- CDTK.Dynamics.MINTF_HFKEE
- CDTK.Dynamics.MINTF_ScfOrb
- CDTK.Dynamics.Models.C2H2_3p
- CDTK.Dynamics.Models.testModels
- CDTK.Dynamics.MolcasInterfaceSH
- CDTK.Dynamics.ObservableCharge
- CDTK.Dynamics.ObservableEE
- CDTK.Dynamics.ObservableEH
- CDTK.Dynamics.ObservableTAS
- CDTK.Dynamics.QChemInterface
- CDTK.Dynamics.QChemInterface2
- CDTK.Dynamics.SimulationBox
- CDTK.Dynamics.SimulationBox2
- CDTK.Dynamics.SurfaceHoppingFS
- CDTK.Dynamics.SurfaceHoppingLZ
- CDTK.Dynamics.SurfaceHoppingLZ2
- CDTK.Dynamics.Thermostat
- CDTK.Dynamics.Tools
- CDTK.Dynamics.Trajectory
- CDTK.Dynamics.Trajectory_SH
- CDTK.Interfaces.EmbeddingInterface
- CDTK.Interfaces.ForceField
- CDTK.Interfaces.GamessUSInterface
- CDTK.Interfaces.Interpolation_Interface
- CDTK.Interfaces.MolcasInterface
- CDTK.Interfaces.WrapperInterface
- CDTK.Models.Coulomb
- CDTK.Models.DiabaticToAdiabatic2States
- CDTK.Models.DoubleACM
- CDTK.Models.HarmonicOsc
- CDTK.Models.MDiabats
- CDTK.Models.SimpleACM
- CDTK.Models.TullyA
- CDTK.Tools.Bath
- CDTK.Tools.Conversion
- CDTK.Tools.EField
- CDTK.Tools.GaussianLog
- CDTK.Tools.Geometry
- CDTK.Tools.Inputfile
- CDTK.Tools.Iterators
- CDTK.Tools.Mathematics
- CDTK.Tools.MolecularMechanics
- CDTK.Tools.NormalCoordinates
- CDTK.Tools.NormalModeAnalysis
- CDTK.Tools.NumericalDerivatives
- CDTK.Tools.OutputGrabber
- CDTK.Tools.TaylorAPES
- CDTK.Tools.Utils
- CDTK.Tools.VibronicCouplingModel
- CDTK.Tools.WaterModel
- CDTK.Tools.XPYDERCreator
- CDTK.an_coord
- CDTK.an_getHessian
- CDTK.an_plt_rho1D
- CDTK.an_plt_rho2D
- CDTK.an_runall
- CDTK.an_traj2vtf
- CDTK.an_waterGeom
- CDTK.analyze
- CDTK.cdtk2hdf5
- CDTK.cdtk2xyz
- CDTK.gmx2cdtk
- CDTK.gmxtopol2ffclass
- CDTK.xmodel
- CDTK.xpyder
- CDTK.xsample