Input 01-propagators.03-etrs_taylor.inp

Commits > Commit f8acf19c290dd45fdc983dc97ea0d33866cdf665 > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 8.300000000000000e-14 -1.953992523340276e-14 PASS
Energy [step 20] -1.060634834378747e+01 -1.060634834378750e+01 5.300000000000000e-13 2.842170943040401e-14 PASS
Multipoles [step 0] 1.912880010640494e-15 2.282730401188460e-15 4.670000000000000e-15 -3.698503905479655e-16 PASS
Multipoles [step 20] -1.265540767271379e-01 -1.265540767271380e-01 6.330000000000000e-15 1.387778780781446e-16 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.966818746569615e-02 7.966818746569601e-02 3.980000000000000e-15 1.387778780781446e-16 PASS
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