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Collections of node-based workflow created using aiida-workgraph.

Project description

workgraph-collections

PyPI version Docs status

This repository contains a collection of workgraphs for various codes.

Qauntum ESPRESSO

  • Equation of state (EOS)
  • Bands
  • Projected density of states (PDOS)
  • X-ray photoelectron spectroscopy (XPS)

CP2K

  • Equation of state (EOS)
  • X-ray photoelectron spectroscopy (XPS)

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