Match M-solvent int. energy @ t=0
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-opt-full: [foss2023a-serial] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980686958e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)