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Intro & demos:

  • ePSproc Readme
  • ePSproc demo
  • ePSproc \(\beta_{L,M}\) calculations demo
  • ePSproc X-section demo
  • Matrix element LM plotting routines demo
  • ePSproc wavefunction plotting tests & demo
  • ePSdata interface demo
  • ePSproc wavefunction plotting tests & demo: CH3I with animation

Tutorials:

  • ePolyScat basics tutorial
  • ePolyScat advanced usage tutorial

Test Notebooks:

  • ePSproc function defn tests
  • Frame definitions & rotations tests
  • Low-level function tests & benchmarks
  • ePSproc - basic plotting development, XC version
  • hvPlotters function tests

Method Development:

  • Method development for geometric functions
  • Method development for geometric functions pt 2: \(\beta\) parameters with geometric functions.
  • Method development for geometric functions pt 3: \(\beta\) aligned-frame (AF) parameters with geometric functions.
  • ePSproc LF/AF function verification & tests
  • cclib + chemlab for orbital functions

Function ref:

  • epsproc package
ePSproc
  • Docs »
  • Search
  • Edit on GitHub

© Copyright 2019, Paul Hockett Revision 82d12cf3.

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