Input 01-casida.02-vib_modes.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Bond stretch 2.254405750280000e+03 2.254405750090000e+03 2.970000000000000e-07 1.900002644106280e-07 PASS
Libration 1 3.213420558000000e+02 3.213565269400000e+02 3.610000000000000e-02 -1.447113999995508e-02 PASS
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