Match Eigenvalues sum
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run spack_foss-2022a_serial_debug >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-4.815925720000000e+00 | -4.815925660000000e+00 | 2.410000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)