Input 01-casida.02-vib_modes.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run intel_mpi_autotools: [intel2023a-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 | 3.213967547400000e+02 | 3.214002369900000e+02 | 8.810000000000000e-03 | -3.482249999990472e-03 | PASS |