| struct TABIPBInput { | |
| int mesh_flag_; | |
| double mesh_density_; | |
| double mesh_probe_radius_; | |
| double phys_temp_; | |
| double phys_eps_solute_; | |
| double phys_eps_solvent_; | |
| double phys_bulk_strength_; | |
| int tree_degree_; | |
| int tree_max_per_leaf_; | |
| double tree_theta_; | |
| int precondition_; | |
| int nonpolar_; | |
| int output_data_; | |
| }; | |
| struct TABIPBOutput { | |
| double solvation_energy_; | |
| double coulombic_energy_; | |
| double free_energy_; | |
| }; | |