Match molecule-solvent int. energy
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2023a_mpi_debug >
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)