Match Total energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-mpi-min: [foss2023a-mpi] >
Input 23-go-na2.02-simplex.inp
Value | Reference | Precision | Status |
-4.174826300000000e-01 | -4.174826000000000e-01 | 2.090000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)