Match molecule-solvent int. energy
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run intel-2022a_omp >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
-3.210224270000000e+00 | -3.210224270000000e+00 | 1.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)