Input 01-casida.02-vib_modes.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run cuda-serial: [foss2022a-cuda-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 3.214072111200000e+02 3.214104111100000e+02 1.680000000000000e-02 -3.199990000041453e-03 PASS
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