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wavepacket-0.3.2.zip 2021-01-26 1.0 MB
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wavepacket-0.3.2.tbz 2021-01-26 507.7 kB
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Readme.txt 2021-01-26 989 Bytes
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Major changes in this release

* New functionality
	- convenience function to relax a state to a ground state or low excited state
	- operator that projects onto a one-dimensional function
	- slightly better performance of the ODE propagators (~ 10% for tiny systems)

* Major refactorings for consistency and ease of use
	- introduced State class that encapsulates coefficients and a grid pointer
	  Several functions no longer need the grid pointer, because they can get it from the State.
	  Also, added some utility functions to work on State (e.g., scalar product).
	  As a result, normal usage no longer requires the CTensor type
	- Renamings Representation -> Grid,  Grid -> Dof, OperatorTransformation -> ...Modification
	- casing generally fixed to CamelCase (BasicFFTTransformation -> BasicFftTransformation)

* Python interface build is part of the CMake build now
  Should be more convenient for the average user; see README file
  Also, should simplify upcoming Windows build
Source: Readme.txt, updated 2021-01-26