Match M-solvent int. energy @ t=0
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980686909e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)