Match nuclei-solvent int. energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-serial-min: [foss2023b-serial] >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
-2.372991100000000e-01 | -2.372991100000000e-01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)