pytc.ansatz.gto_spherical.eval_gto_spherical

pytc.ansatz.gto_spherical.eval_gto_spherical(mol_gto, xyz)[source]

Evaluate spherical GTOs at a single point.

Parameters:
  • mol_gto (flax.struct.dataclass)

  • xyz (jax.Array)

Return type:

jax.Array