Match nuclei-solvent int. energy
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_min_autotools: [foss2022a-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)