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Intro:

  • ePSman: Management tools for ePolyScat job generation & execution
  • ePSman Overview

Basic demos:

  • ePSman ESgamess class notes & demos: molecule and Gamess job handling class
  • ESjob class - electronic structure file handling & ePS job creation
  • ESjob class - pt. 2 ePS job creation & run jobs

ESgamess class demos 2024:

  • ESgamess: molecule and Gamess job handling class (basic demo)
  • ESgamess: molecule and Gamess job handling class (symmetry and transformations demo)
  • ESmulti class - electronic structure computation for multiple geometries and bondscans

Function ref:

  • epsman package
ePSman
  • Search

© Copyright 2018, Paul Hockett.

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