Match Total energy
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-1.333939707000000e+01 | -1.333939704000000e+01 | 4.070000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)