Match M-solvent int. energy @ t=0
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi] >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Value | Reference | Precision | Status |
-3.216045980687078e+00 | -3.216045980686861e+00 | 3.190000000000000e-13 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)