Match nuclei-solvent int. energy
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run intel-2022b >
Input 32-tdpcm_methane.01-ground_state.inp
| Value | Reference | Precision | Status |
| -2.372987200000000e-01 | -2.372987200000000e-01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)