Input 01-propagators.03-etrs_taylor.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.060634834378747e+01 -1.060634834378750e+01 5.300000000000000e-13 2.842170943040401e-14 PASS
Multipoles [step 0] 1.863700600096552e-15 2.282730401188460e-15 4.670000000000000e-15 -4.190298010919082e-16 PASS
Multipoles [step 20] -1.265540767271378e-01 -1.265540767271380e-01 6.330000000000000e-15 2.220446049250313e-16 PASS
Forces [step 0] 8.537491810749120e-02 8.537491810749601e-02 8.300000000000000e-15 -4.801714581503802e-15 PASS
Forces [step 20] 7.966818746569615e-02 7.966818746569601e-02 3.980000000000000e-15 1.387778780781446e-16 PASS
Compare to other inputs