Match molecule-solvent int. energy
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_mpi_autotools: [foss2022a-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)