Input 01-propagators.03-etrs_taylor.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_omp_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205384e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.730349362740526e-14 PASS
Energy [step 20] -1.060634834378747e+01 -1.060634834378750e+01 5.300000000000000e-13 2.842170943040401e-14 PASS
Multipoles [step 0] 1.394962270695466e-15 2.282730401188460e-15 4.670000000000000e-15 -8.877681304929943e-16 PASS
Multipoles [step 20] -1.265540767271379e-01 -1.265540767271380e-01 6.330000000000000e-15 1.387778780781446e-16 PASS
Forces [step 0] 8.537491810748987e-02 8.537491810749601e-02 8.300000000000000e-15 -6.133982211053990e-15 PASS
Forces [step 20] 7.966818746569659e-02 7.966818746569601e-02 3.980000000000000e-15 5.828670879282072e-16 PASS
Compare to other inputs