Match molecule-solvent int. energy
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_min_autotools: [foss2023a-serial] >
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)