Issues

• Convert sort_regressionfiles_yaml.py into Python package

  maintenance
  cclib/cclib-data#208 · Filter by author berquist opened on Apr 15, 2025
  

• Add basic continuous integration against main repo default branch

  maintenance
  cclib/cclib-data#207 · Filter by author berquist opened on Apr 15, 2025
  

• Dependency Dashboard

  cclib/cclib-data#199 · Filter by author renovate opened on Nov 10, 2024

• Psi4 SAPT0 calculation that doesn't parse

  Psiregression
  cclib/cclib-data#146 · Filter by author berquist opened on Dec 28, 2020

• Ability to add files without testing them

  maintenance
  cclib/cclib-data#96 · Filter by author langner opened on Oct 24, 2018

• License information for data files

  maintenancesourceforge
  cclib/cclib-data#1 · Filter by author langner opened on Jan 28, 2014