Match Hartree energy
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_intel-2023a_serial >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266251499000000e+01 | 2.266251516000000e+01 | 1.930000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)