Match molecule-solvent int. energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run foss-2022a_mpi_omp >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
Value | Reference | Precision | Status |
-3.215658700000000e+00 | -3.215658700000000e+00 | 1.610000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)