Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.197442310920451e-14 PASS
Energy [step 20] -1.060634834378747e+01 -1.060634834378750e+01 5.300000000000000e-13 3.019806626980426e-14 PASS
Multipoles [step 0] 2.062177211219381e-15 2.282730401188460e-15 4.670000000000000e-15 -2.205531899690792e-16 PASS
Multipoles [step 20] -1.265540767271379e-01 -1.265540767271380e-01 6.330000000000000e-15 8.326672684688674e-17 PASS
Forces [step 0] 8.537491810749254e-02 8.537491810749601e-02 8.300000000000000e-15 -3.469446951953614e-15 PASS
Forces [step 20] 7.966818746569659e-02 7.966818746569601e-02 3.980000000000000e-15 5.828670879282072e-16 PASS
Compare to other inputs