Match molecule-solvent int. energy
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run cmake_foss_2022a_min_mpi >
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)