Match Eigenvalues sum
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss-serial-min: [foss2023b-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-4.815992610000000e+00 | -4.815992680000000e+00 | 4.620000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)