Match Eigenvalues sum
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss-serial-min: [foss2023a-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)