Match Eigenvalues sum
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815992510000000e+00 | -4.815992680000000e+00 | 2.410000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)