7.1. Results Importer¶
This chapter contains a description of the ResultsImporter python class, which is
used for setting up the JobCollection, DataSet, and EngineCollection from
reference calculations. A results importer typically affects all three of those classes
with a single method.
- 7.1.1. ResultsImporter overview
- 7.1.1.1. ResultsImporter summary
- 7.1.1.2. ResultsImporter settings
- 7.1.1.3. Training set, validation set, etc.
- 7.1.1.4. Save and load from disk
- 7.1.1.5. add_singlejob
- 7.1.1.6. add_trajectory_singlepoints
- 7.1.1.7. add_reaction_energy
- 7.1.1.8. add_pesscan_singlepoints
- 7.1.1.9. add_neb_singlepoints
- 7.1.1.10. add_pesexploration_singlepoints
- 7.1.2. AMS, VASP, Quantum ESPRESSO, and Gaussian reference data
- 7.1.3. ResultsImporters API