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schrodinger.application.matsci.espresso package¶

Quantum Espresso integration functionality

Submodules¶

  • schrodinger.application.matsci.espresso.ppdb module
  • schrodinger.application.matsci.espresso.qeinput module
  • schrodinger.application.matsci.espresso.qeoutput module
  • schrodinger.application.matsci.espresso.utils module

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