Match Hartree energy
Commits >
Commit 23d5ddb085c569d9609ce2385772116d59d2e94d >
Run foss-serial-full: [foss2023a-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266259809000000e+01 | 2.266259827000000e+01 | 3.630000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)