Input 01-propagators.03-etrs_taylor.inp

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 8.300000000000000e-14 -3.019806626980426e-14 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 1.776356839400250e-14 PASS
Multipoles [step 0] -6.307347222636595e-16 2.282730401188460e-15 4.670000000000000e-15 -2.913465123452119e-15 PASS
Multipoles [step 20] -1.265540767271400e-01 -1.265540767271380e-01 6.330000000000000e-15 -1.970645868709653e-15 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.966818746569437e-02 7.966818746569601e-02 3.980000000000000e-15 -1.637578961322106e-15 PASS
Compare to other inputs