openff.bespokefit.schema.tasks.HessianTask
- model openff.bespokefit.schema.tasks.HessianTask[source]
Bases:
HessianTaskSpec
- Fields
- field smiles: str [Required]
A fully indexed SMILES representation of the molecule to compute the hessian for.
Bases: HessianTaskSpec
A fully indexed SMILES representation of the molecule to compute the hessian for.