Match molecule-solvent int. energy
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-ppc: [foss2022a-serial] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-3.216044690000000e+00 | -3.216044690000000e+00 | 1.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)