Match Hartree energy
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run spack_foss-2023a_serial >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 2.266251408000000e+01 | 2.266251516000000e+01 | 1.930000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Hartree =', 3)