pyscfad.gto.mole.Mole.dumps#
- Mole.dumps()[source]#
Serialize the object to a JSON formatted str.
The traced attributes are backend arrays, which PySCF cannot serialize. They are converted to numpy arrays here, which PySCF dumps as nested lists. Tracers, as encountered when this is called inside
jax.jit, carry no concrete value and are dropped.