get_rsp_atoms¶
- process_class.get_rsp_atoms()¶
Build ASE structures for the reactant, saddle, and product.
- Returns:
list of ase.Atoms – Three structures in reactant/saddle/product order.
Build ASE structures for the reactant, saddle, and product.
list of ase.Atoms – Three structures in reactant/saddle/product order.