atomdb.datasets.nist.run module

NIST compile function.

atomdb.datasets.nist.run.load_nist_spectra_data(atnum, nelec, datafile)

Load data from database_beta_1.3.0.h5 file into a SpeciesTable.

Note: function based on spectra.py module from old master https://github.com/theochem/AtomDB/blob/oldmaster/atomdb/io/spectra.py

atomdb.datasets.nist.run.run(elem, charge, mult, nexc, dataset, datapath)

Parse NIST related data and compile the AtomDB database entry.