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0.6.0

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  • Installation
  • Getting Started
    • An Introduction to exatomic
    • Welcome to exatomic
    • XYZ Example
    • Visualize Orbitals
    • Extraction of cluster geometries from a trajectory
    • NWChem
    • Support for Quantum ESPRESSO in exatomic
  • Development
  • exatomic package
exatomic
  • Getting Started
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Getting Started

Notebook Examples

  • An Introduction to exatomic
  • Welcome to exatomic
  • XYZ Example
  • Visualize Orbitals
  • Extraction of cluster geometries from a trajectory
  • NWChem
  • Support for Quantum ESPRESSO in exatomic
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© Copyright . Last updated on Apr 21, 2023.