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Intro:

  • ePSproc Readme
  • ePSproc base and multijob class intro

Installation:

  • Extended installation notes
  • ePSproc + JupyterLab builds with Docker

Class demos:

  • ePSproc with polarization state control
  • ePSdata interface demo
  • ePSproc wavefunction plotting tests & demo
  • ePSproc wavefunction plotting tests & demo: CH3I with animation
  • E-field polarization class demo

Function demos:

  • ePSproc demo
  • ePSproc \(\beta_{L,M}\) calculations demo
  • ePSproc X-section demo
  • Matrix element LM plotting routines demo

Datastructures & IO:

  • Data stuctures - basic overview and demo
  • Data structures - IO demo

Matlab:

  • ePSproc Matlab demo

Tutorials:

  • ePolyScat basics tutorial
  • ePolyScat advanced usage tutorial
  • Geometric methods summary

Advanced/Special Topics:

  • Frame definitions
  • Working with spherical harmonics
  • Working with real spherical harmonics
  • Degenerate states tutorial and demo

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
  • Density Matrices notes + demo (ePSproc + PEMtk dev.)
  • State-resolved gamma calculations (legacy)
  • State-resolved gamma calculations (python)

Function ref:

  • epsproc package
    • Subpackages
      • epsproc.calc package
      • epsproc.classes package
      • epsproc.efield package
      • epsproc.geomFunc package
      • epsproc.ioBackends package
      • epsproc.plot package
      • epsproc.sphFuncs package
      • epsproc.util package
        • Submodules
        • Module contents
      • epsproc.vol package
    • Submodules
    • Module contents
ePSproc
  • epsproc package
  • epsproc.util package
  • View page source

epsproc.util package

Submodules

  • epsproc.util.conversion module
    • conv_BL_BLM()
    • conv_ev_atm()
    • conv_ev_nm()
    • conv_ev_nm_elec()
    • datasetStack()
    • multiDimXrFromDict()
    • multiDimXrToDict()
    • multiDimXrToPD()
    • orb3DCoordConv()
    • renormL0()
  • epsproc.util.env module
  • epsproc.util.epsdata module
  • epsproc.util.io module
  • epsproc.util.listFuncs module
    • ADMdimList()
    • AFBLMdimList()
    • BLMdimList()
    • TKQdimList()
    • YLMdimList()
    • YLMtype()
    • dataTypesList()
    • eulerDimList()
    • genLM()
    • getRefDims()
    • matEdimList()
  • epsproc.util.misc module
    • arraySort2D()
    • checkDims()
    • deconstructDims()
    • fileListSort()
    • reconstructDims()
    • restack()
    • setDefaultArgs()
    • sortGroupFn()
    • stringRepMap()
    • subselectDims()
    • timeStamp()
  • epsproc.util.selectors module
    • dataGroupSel()
    • dropXSfromArray()
    • matEleSelector()
    • setXSfromCoords()
  • epsproc.util.setMatE module
  • epsproc.util.summary module
  • epsproc.util.verify module
  • epsproc.util.xrIO module
    • combineComplex()
    • combineComplexXR()
    • sanitizeAttrsNetCDF()
    • splitComplex()
    • splitComplexXR()

Module contents

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© Copyright 2019, Paul Hockett.

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