Match Eigenvalues sum
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run cmake_foss_2022a_full_mpi >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815925580000000e+00 | -4.815925660000000e+00 | 2.410000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)