Match Hartree energy
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run spack_foss-2022a_mpi >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266251534000000e+01 | 2.266251516000000e+01 | 1.930000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)