Match Eigenvalues sum
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2023a_mpi_debug >
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)