Match M-solvent int. energy @ t=0
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980687151e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)