Input 01-propagators.06-aetrs.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022b

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634982716840e+01 -1.060634982716840e+01 5.300000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] 1.850597617042513e-15 2.282730401188460e-15 4.670000000000000e-15 -4.321327841459465e-16 PASS
Multipoles [step 20] -1.265513823243621e-01 -1.265513823243620e-01 6.330000000000000e-15 -8.326672684688674e-17 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.300000000000000e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.966699321588067e-02 7.966699321588180e-02 4.000000000000000e-14 -1.137978600240785e-15 PASS
Compare to other inputs