Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 8.300000000000000e-14 0.000000000000000e+00 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 2.309263891220326e-14 PASS
Multipoles [step 0] 3.468993768998042e-15 2.282730401188460e-15 4.670000000000000e-15 1.186263367809582e-15 PASS
Multipoles [step 20] -1.265540767271340e-01 -1.265540767271380e-01 6.330000000000000e-15 3.996802888650564e-15 PASS
Forces [step 0] 8.537491810749787e-02 8.537491810749601e-02 8.799999999999999e-15 1.859623566247137e-15 PASS
Forces [step 20] 7.966818746569215e-02 7.966818746569601e-02 3.980000000000000e-15 -3.858025010572419e-15 PASS
Compare to other inputs