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
  • Python Module Index

Python Module Index

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- basis_set_exchange
    basis_set_exchange.api
    basis_set_exchange.bundle
    basis_set_exchange.compose
    basis_set_exchange.convert
    basis_set_exchange.curate
    basis_set_exchange.fileio
    basis_set_exchange.lut
    basis_set_exchange.manip
    basis_set_exchange.memo
    basis_set_exchange.misc
    basis_set_exchange.notes
    basis_set_exchange.printing
    basis_set_exchange.readers
    basis_set_exchange.refconverters
    basis_set_exchange.references
    basis_set_exchange.skel
    basis_set_exchange.sort
    basis_set_exchange.validator
    basis_set_exchange.writers

© Copyright 2022, Benjamin Pritchard and Susi Lehtola.

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