Welcome to WaveBlocks’s documentation!

Reusable building blocks for simulations with semiclassical wavepackets for solving the time-dependent Schrödinger equation.

Source code documentation

WaveBlocks Classes

Basic numerics

• ComplexMath
• MatrixExponential
• MatrixExponentialFactory
• QuadratureRule
• GaussHermiteQR
• TrapezoidalQR

Basic quantum mechanics

• WaveFunction
• MatrixPotential
• MatrixPotential1S
• MatrixPotential2S
• MatrixPotentialMS
• PotentialLibrary
• PotentialFactory

Wavepackets and related

• Wavepacket
• HagedornWavepacket
• HagedornWavepacketInhomogeneous
• Quadrature
• HomogeneousQuadrature
• InhomogeneousQuadrature

Time propagation

• Propagator
• FourierPropagator
• HagedornPropagator
• HagedornPropagatorInhomogeneous

Toplevel simulation loops

• SimulationLoop
• SimulationLoopFourier
• SimulationLoopHagedorn
• SimulationLoopHagedornInhomogeneous
• TimeManager

Simulation result storage I/O

• IOManager
• IOM_plugin_energy
• IOM_plugin_grid
• IOM_plugin_fourieroperators
• IOM_plugin_inhomogwavepacket
• IOM_plugin_norm
• IOM_plugin_parameters
• IOM_plugin_wavefunction
• IOM_plugin_wavepacket
• FileTools

Related to Spawning

• Spawner
• AdiabaticSpawner
• NonAdiabaticSpawner
• SpawnConditions
• SpawnConditionFactory
• SpawnAdiabaticPropagator
• SpawnNonAdiabaticPropagator
• SimulationLoopSpawnAdiabatic
• SimulationLoopSpawnNonAdiabatic

Other classes

• GlobalDefaults
• ParameterLoader
• ParameterProvider
• Utils

Etc

• Citation

Indices and tables

• Index
• Module Index
• Search Page