ePSman

RTD

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

ePSman: Management tools for ePolyScat job generation & execution
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ePSman: Management tools for ePolyScat job generation & execution

… will be collected here as further developed …

https://imgs.xkcd.com/comics/automation.png — XKCD always knows best

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