Match Eigenvalues sum
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-4.815992740000000e+00 | -4.815992680000000e+00 | 4.620000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)