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Ergo: An open-source program for linear-scaling electronic structure calculations.

Elias RudbergEmanuel H. RubenssonPawel SalekAnastasia Kruchinina
Published in: SoftwareX (2018)
Keyphrases
  • open source
  • structural information
  • database systems
  • high dimensional
  • graph structure
  • website
  • decision trees
  • control system