Match molecule-solvent int. energy
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
-3.210811730000000e+00 | -3.210811730000000e+00 | 3.210000000000000e-14 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)