Input 01-casida.02-vib_modes.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cmake: [foss2023a-mpi, 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 | 3.213922300500000e+02 | 3.214002369900000e+02 | 8.810000000000000e-03 | -8.006939999972928e-03 | PASS |