atomdb.datasets.numeric package

Contents

atomdb.datasets.numeric package#

Numerical Hartree-Fock dataset.

Submodules#

atomdb.datasets.numeric.run module#

Numerical Hartree-Fock Data on a Grid.

atomdb.datasets.numeric.run.load_numerical_hf_data()#: Load data from desnity.out file into a SpeciesTable.

atomdb.datasets.numeric.run.run(elem, charge, mult, nexc, dataset, datapath)#: Compile the densities from Slater orbitals database entry.