Match molecule-solvent int. energy
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run intel-2022a_impi >
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)