Match molecule-solvent int. energy
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run cmake_foss_2022a_full_serial >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
Value | Reference | Precision | Status |
-3.215686240000000e+00 | -3.215686240000000e+00 | 1.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)