Match Eigenvalues sum
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_autotools: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815992850000000e+00 | -4.815992680000000e+00 | 2.410000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)