Match Total energy
Commits >
Commit 8f70c6ee77762d8b3d61df63beb761c1a94f9b18 >
Run foss-mpi-omp-full: [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)