Match molecule-solvent int. energy
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run foss_min_autotools: [foss2023b-serial] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-3.215407030000000e+00 | -3.215407030000000e+00 | 1.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)