Match Total energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -1.333939706000000e+01 | -1.333939704000000e+01 | 4.070000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)