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Home / releases / 0.2.3
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wavepacket-0.2.3.zip 2018-12-24 2.9 MB
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wavepacket-0.2.3.tar.bz2 2018-12-24 1.7 MB
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Readme.txt 2018-12-24 731 Bytes
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Totals: 3 Items   4.5 MB 0 
Version 0.2.3 offers some new features:

- more work on the python interface
  In the end, ported the HarmonicOscillator/Gaussian_2D/1 demo that describes
  the potential and initial wave function in python, but uses them in the C++ code
- added propagation filters and a normalization filter that renormalizes the
  wave function
- interpolation has unit conversion built in now (if you supply the data in non-atomic units)
- added a "TensorState" initial wave function generator
  This covers some special cases of the transfer of the wave function from one calculation to the next
- added a function to simplify the operator structure which speeds up operators with
  multiple potential terms (e.g., multiple electronic states)
Source: Readme.txt, updated 2018-12-24