Input 01-casida.02-vib_modes.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Bond stretch | 2.254370315750000e+03 | 2.254370315750000e+03 | 1.130000000000000e-07 | 0.000000000000000e+00 | PASS |
Libration 1 | 3.214100513700000e+02 | 3.214104111100000e+02 | 1.680000000000000e-02 | -3.597400000217021e-04 | PASS |