Basis Set Exchange

Contents:

  • Quickstart and Basic Usage
  • The bse command line interface
  • Converting basis sets
  • Truncation into minimal basis sets
  • Augmenting basis sets by extra functions
  • Papajak/Truhlar ‘Calendarization’
  • Creating Basis Set Bundles
  • Main User API
  • Developer Documentation
  • The bsecurate command line interface
  • REST API Reference
Basis Set Exchange
  • Search

© Copyright 2022, Benjamin Pritchard and Susi Lehtola.

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