View source on GitHub
|
Prepare a molecular data instance for a single element.
openfermion.chem.make_atom(
atom_type, basis, filename=''
)
Args | |
|---|---|
atom_type
|
Float giving atomic symbol. |
basis
|
The basis in which to perform the calculation. |
Returns | |
|---|---|
atom
|
An instance of the MolecularData class. |
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Last updated 2025-06-06 UTC.