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v1.2.5-dev: Geometric code for AF, epsData interface, wavefunction plotting

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@phockett phockett released this 11 Sep 16:43

Updated v1.2.5 source, with new functionality and bug fixes from March - Sept. 2020, but still back-compatible. The next release (v1.3.0) will include significant restructuring which will likely break old code. New additions in this version are now working & tested, but still need some work & tidying up.

(This version from PyPi.)

Main additions since v1.2.5 release:

The main change is the addition of tensor-based BLM computations, which are now verified, and much faster than previous codes. There are some new classes too, although these are still in the development stages.

  • 27/04/20: added E-field class 04c2cc3
  • 19/05/20: added volumetric and orbital plotting functionality 2d93bb1
  • 15/06/20: added AFBLM code, geometric version cb555e5
  • 04/07/20: added Holoviews-based plotting codes 625ebc0
  • 18/07/20: added wfPlotter class for wavefunction plotting 1766d25
  • 20/07/20: added ePSdata interface class 0a51a59

Bug fixes & notebooks:

  • 09/05/20: added ePS tutorial notebooks 26531e5
  • 22/06/20: LF formalism (geometric version) notes and testing added 5524129
  • 30/07/20: added ePSdata demo notebooks 9feed8c
  • Aug/Sept 2020: various bug fixes and code validation.
  • 09/09/20: Finally fixed geometric codes and verified, 97a064e