WavePacket (C++/Python) Git repository

108 lines (87 with data), 4.5 kB

Version 0.1.1b:

- updated googletest requirements and build defaults to version 1.8
- fixed some compiler warnings
- fixed possible compiler failures in acceptance tests

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Version 0.1.1:

- new acceptance test:
	- usage of electric fields of custom shape
	- relaxation of a density operator to thermal equilibrium and subsequent propagation
- new demos:
	- free particle
	- 2D harmonic oscillator
- basic tutorial (Wiki on sourceforge page)
- Major propagator refactoring:
	- split into primitives to propagate one time step and Propagator, which deals with logging etc.
	- Joined propagation of single and multiple states and simplified the latter
	- separate primitives for real and imaginary time; simplified use of the latter
	- Chebychev propagator in real and imaginary time
- added functors (function-like objects)
	- interpolation as functor
	- product wave function built from functors yielding 1D wave functions
	- 1D potential operators build the potential with functors
- merged DensityManipulator and WavefunctionManipulator into a single class
- implemented an own exception hierarchy; not complete
- upgraded build process
	- require more recent version of boost; this drops one dependency
	- by default, all tests are built into a single executable
- minor fixes and improvements here and there


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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


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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.


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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


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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