Welcome to WaveBlocksND’s documentation!¶
Reusable building blocks for simulations with semiclassical wavepackets for solving the time-dependent Schrödinger equation.
User Manual¶
Please note that some sections of the manual are still outdated. The source code documentation below is actually up to date.
Potential Library¶
Source code documentation¶
WaveBlocks Classes¶
Basic numerics¶
Basic quantum mechanics¶
Wavepackets¶
- BasisShape
- HyperCubicShape
- SimplexShape
- HyperbolicCutShape
- LimitedHyperbolicCutShape
- Wavepacket
- HagedornWavepacketBase
- HagedornWavepacket
- HagedornWavepacketInhomogeneous
- HagedornWavepacketPsi
- Gradient
- GradientHAWP
- GradientHAWPpsi
- Position
- PositionHAWP
- PositionHAWPpsi
- HagedornWavepacketTransformPhiPsi
- BasisTransformation
- BasisTransformationWF
- BasisTransformationHAWP
- LinearCombinationOfWavepackets
- LinearCombinationOfWPs
- LinearCombinationOfHAWPs
- GradientLCWP
- GradientLinearCombinationHAWP
Inner Products¶
- InnerProduct
- HomogeneousInnerProduct
- InhomogeneousInnerProduct
- HomogeneousInnerProductLCWP
- InhomogeneousInnerProductLCWP
- Quadrature
- DirectQuadrature
- DirectHomogeneousQuadrature
- DirectInhomogeneousQuadrature
- GaussianIntegral
- SymbolicIntegral0
- SymbolicIntegral
- NSDInhomogeneous
- SparsityOracle
- SparsityOracleTrue
- SparsityOraclePSHAWP
- SparsityOracleGIHAWP
Time propagation¶
- KineticOperator
- SplittingParameters
- PerturbedSplittingParameters
- ProcessingSplittingParameters
- Propagator
- FourierPropagator
- ChinChenPropagator
- HagedornPropagator
- HagedornPropagatorInhomogeneous
- MagnusPropagator
- SemiclassicalPropagator
- McL42scPropagator
- McL84scPropagator
- Pre764scPropagator
- HagedornPropagatorPsi
- SimulationLoop
- SimulationLoopFourier
- SimulationLoopHagedorn
- SimulationLoopHagedornInhomogeneous