Input 01-casida.02-vib_modes.inp
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Run GCI_foss_mpi_min_autotools: [foss2022a-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 | 3.214045169800000e+02 | 3.214002369900000e+02 | 8.810000000000000e-03 | 4.279989999986356e-03 | PASS |