Match nuclei-solvent int. energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
2.385921657000000e+01 | 2.385921657000000e+01 | 1.190000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_n-solvent =', 3)