Match nuclei-solvent int. energy
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-opt-full: [foss2023a-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)