ASE
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      • Labels for atoms
      • Calculator interface proposal
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ASE
index | modules | gitlab | page source

ASE enhancement proposalsΒΆ

  • Labels for atoms
    • Why?
    • Proposal
    • Examples
    • List-like objects
    • Atom objects
    • I/O
  • Calculator interface proposal
    • Behavior
    • Standards parameters
    • ABC calculator example
    • Implementation
    • Testing
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