Match Total energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_min_autotools: [foss2022a-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-1.333939691000000e+01 | -1.333939704000000e+01 | 4.070000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)