Match Eigenvalues sum
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run spack_foss-2022a_ppc >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815924940000000e+00 | -4.815925660000000e+00 | 2.410000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)