PWA Expert System 0.6.5

Release 0.6.5

See all documentation for this version here.

💡 New features

• Reduce edge quantum number domains to allowed states (#406)
  In case allowed intermediate states are specified, reduce the edge quantum numbers for intermediate edges to match the given allowed states. This can dramatically reduce the runtime, when intermediate states are explicitly specified.

🐛 Bug fixes

• Fix broken RTD links (#399)
• Retrieve prefactor correctly from yaml file (#405)

🔨 Interface changes

• Improve solving module and corresponding interfaces (#401)
  • Change in Solver interface. It now accepts a new data structure QNProblemSet as an argument, and returns the new data structure
    QNResult. This removes the StateTransitionGraph from the solving module.
  • Change in the UI. prepare_graphs was changed to create_problem_sets, which now creates and returns ProblemSets. ProblemSet and InitialFacts are new data structures part of the UI. The ProblemSets can be fed to the solving module.
  • Change the CSPSolver init to accept allowed particles in the form of quantum number dictionaries. This simplifies the code and removes the coupling to the particle module. The quantum number dictionaries have to use None as a value for undefined Parities.

🖱️ Internals

• Limit VSCode file scan (#399)
• Enable slow tests in the CI again (#406)
  This is possible due to the vast performance improvements.
• Make CD and CI compatible (#410)
  From now on CD does NOT perform any more tests, as this is already covered by the CI.

Contributors since 0.6.4

@redeboer and @spflueger