Input 01-casida.02-vib_modes.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
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 | 3.213977657300000e+02 | 3.214104111100000e+02 | 1.680000000000000e-02 | -1.264538000003768e-02 | PASS |