Match Eigenvalues sum
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_debug_autotools: [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)