Input 01-propagators.06-aetrs.inp

Commits > Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 > Run intel-2022a_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] -1.060634982716840e+01 -1.060634982716840e+01 5.300000000000000e-13 -1.776356839400250e-15 PASS
Multipoles [step 0] 2.062177211219381e-15 2.282730401188460e-15 4.670000000000000e-15 -2.205531899690792e-16 PASS
Multipoles [step 20] -1.265513823243629e-01 -1.265513823243620e-01 6.330000000000000e-15 -9.159339953157541e-16 PASS
Forces [step 0] 8.537491810749254e-02 8.537491810749601e-02 8.300000000000000e-15 -3.469446951953614e-15 PASS
Forces [step 20] 7.966699321588111e-02 7.966699321588180e-02 4.000000000000000e-14 -6.938893903907228e-16 PASS
Compare to other inputs