Match Eigenvalues sum
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -4.815988330000000e+00 | -4.815992680000000e+00 | 4.620000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)