ePSproc Logo
v1.2.5-dev

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 »
  • Overview: module code

All modules for which code is available

  • epsproc.AFBLM
  • epsproc.IO
  • epsproc.MFBLM
  • epsproc.MFPAD
  • epsproc.basicPlotters
  • epsproc.efield.efields
  • epsproc.geomFunc.afblmGeom
  • epsproc.geomFunc.geomCalc
  • epsproc.geomFunc.geomUtils
  • epsproc.geomFunc.lfblmGeom
  • epsproc.geomFunc.mfblmGeom
  • epsproc.geomFunc.mfblmGeom_Dev
  • epsproc.geomFunc.w3jVecMethods
  • epsproc.plot.hvPlotters
  • epsproc.sphCalc
  • epsproc.sphPlot
  • epsproc.util.conversion
  • epsproc.util.listFuncs
  • epsproc.util.misc
  • epsproc.util.selectors
  • epsproc.util.summary
  • epsproc.vol.orbPlot
  • epsproc.vol.setOptions
  • epsproc.vol.wfPlot

© Copyright 2019, Paul Hockett Revision f28973be.

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