Match Eigenvalues sum
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815992760000000e+00 | -4.815992680000000e+00 | 4.620000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)