Input 01-casida.02-vib_modes.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Bond stretch | 2.254370315750000e+03 | 2.254370315750000e+03 | 1.130000000000000e-07 | 0.000000000000000e+00 | PASS |
| Libration 1 | 3.214091790600000e+02 | 3.214104111100000e+02 | 1.680000000000000e-02 | -1.232050000055551e-03 | PASS |