Match Eigenvalues sum
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run foss-serial-debug: [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)