Match molecule-solvent int. energy
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run intel-serial: [intel2023a-serial] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-3.216044690000000e+00 | -3.216044690000000e+00 | 1.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)