WavePacket (C++/Python) Git repository

66 lines (55 with data), 2.8 kB

Version 0.1:

- new working acceptance test:
	- Spin-Boson problem with Redfield dissipation
- started adding demos from old Matlab code
	- squeezed and shifted state in a harmonic oscillator
- cleaned up / improved generation of initial state:
	- StateBuilder assembles product states, pure density operators
	  from wavefunctions etc.
	- elementary generators build one-dimensional wavefunctions
	- harmonic oscillator eigenstates
	- Morse oscillator eigenstates
	- interpolation from file; setting the 1D wavefunction
- New operators:
	- RedfieldLiouvillian
	- generalized operators that takes an arbitrary matrix / tensor
	- time-dependent function
- added RedfieldBuilder to calculate the effective operators appearing in the
  RedfieldLiouvillian
- New MultiPropagators that can simultaneously propagate several states
- added observers that are automatically called every (settable) propagation time steps
	- added observer that logs norm, energy and some other expectation values
- some work to make Wavefunction/DensityManipulators more useful
- tests log some of the data; may be put to use for reproducing failures


Version 0.0.3:

- new working acceptance tests:
	- Harmonic oscillator with Lindblad dissipation
	- Density propagation and Wavefunction propagation give same result
- added a builder to set up density operators as direct product states
- completely reworked how operators work; there is now a primitive that knows
  what to do with various objects and a high-level operator that determines
  the actual action (commute with a density operator or apply to a wavefunction)
- added a bunch of new operators:
	- CommutatorOperator, LindbladLiouvillian as high-level operators
	- ConstantOperator, TensorOperator as primitives
- added class to simplify transformation of wavefunctions/density operators
  between the various representation (DVR, FBR, DVR with weights)
- added Makefile target and structure for doxygen documentation
- slightly simplified the Makefile configuration; fixed a few linker issues
- shifted a few files, beautification and simplification of the code/tests etc.


Version 0.0.2:

- implemented multi-dimensional grids
- introduced weighted DVR as new representation; this obsoletes the
  direct exposure of the DVR weights
- a couple of new operators:
  harmonic oscillator, momentum operator, coordinate operator
- added addition and summation of operators
- added a wave function builder that generates a Gaussian initial state
  and can build a tensor product of one-dimensional wave functions
- an acceptance test of a coherent state in a 2D harmonic oscillator


Version 0.0.1:

- Initial release
- an FFT-based Cartesian grid
- a kinetic energy operator for said grid
- a propagator employing standard ODE solvers
- an acceptance test that propagates a free particle