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Nexus Documentation

  • User Guide
  • API Reference
  • Extra Reading
  • Code Style for Developers
  • GitHub
  • User Guide
  • API Reference
  • Extra Reading
  • Code Style for Developers
  • GitHub

Section Navigation

  • Core Nexus Modules
  • QMCPACK Modules
  • Quantum ESPRESSO Modules
  • GAMESS Modules
  • PySCF Modules
  • Quantum Package Modules
    • Quantum Package Input
    • Quantum Package
    • Quantum Package Analyzer
  • VASP Modules
  • RMG Modules
  • API Reference
  • Quantum Package Modules

Quantum Package Modules#

This is an in-depth look at all of the user-facing classes and functions in Nexus that relate to Quantum Package.

The Quantum Package utilities are split across 3 modules:

  • quantum_package

  • quantum_package_input

  • quantum_package_analyzer

  • Quantum Package Input
    • read_qp_value_type
    • read_qp_value
    • write_qp_value
    • extract_input_specification
    • Section
    • QuantumPackageInput
    • generate_quantum_package_input
  • Quantum Package
    • QuantumPackage
    • generate_quantum_package
  • Quantum Package Analyzer
    • QuantumPackageAnalyzer

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Quantum Package Input

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