Match molecule-solvent int. energy
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Run cmake_foss_2022a_full_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)