WavePacket is a MatLab program package for simulating quantum-mechanical wavepacket dynamics, optionally interacting with electric fields, and with animated graphics. Being highly versatile, it can be used mainly in (photoinduced) physics and chemistry.
|Tags||Scientific/Engineering Chemistry Physics|
|Operating Systems||OS Independent|
Since the Matlab version and the C++ rewrite do not really fit nicely into the same freshmeat project, I have opened another project for the C++ rewrite named "WavePacket (C++ version)". Just in case someone follows that and wants to subscribe there.
Release Notes: Adds multidimensional grids as products of one-dimensional grids, addition and multiplication of operators, and slightly more convenient wave function handling. As acceptance test/demo, a two-dimensional harmonic oscillator was added.
Release Notes: This is the first release of the C++ rewrite. Implemented so far are an FFT grid, a (FFT-based) kinetic energy operator, and a propagator which uses standard ODE solvers (Runge-Kutta, Bulirsch-Stoer) to propagate a wave function in time.
Release Notes: This release changes the way the program is started to simplify scripting. Multiple saved calculations can efficiently be loaded in parallel. Work has begun on Optimal Control Theory (RWA, propagation backwards in time). Implementation of basics for propagation in abstract basis and of density operators. Documentation updates and several bugfixes.
Release Notes: This release adds generation of plots from saved calculations, and printing to image sequences instead of an AVI file. There are some minor bugfixes. Several requirements from the GPL that were not met in previous versions have been resolved.
Release Notes: The code was made compatible with Matlab 7.6. Sums and products were added for operators and initial wave functions. Symbolic algebra were implemented for operators and initial wave functions. A rudimentary manual was added. Propagators now support manual intervention from the user (propagating stepwise, manipulating the wave function on the fly, etc.). A lot of output was added. A lot of cleanup and commenting were done.