Input 01-propagators.06-aetrs.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.131628207280301e-14 PASS
Energy [step 20] -1.060634982716840e+01 -1.060634982716840e+01 5.300000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 2.566881826722173e-15 2.282730401188460e-15 4.670000000000000e-15 2.841514255337135e-16 PASS
Multipoles [step 20] -1.265513823243639e-01 -1.265513823243620e-01 6.330000000000000e-15 -1.859623566247137e-15 PASS
Forces [step 0] 8.537491810749165e-02 8.537491810749601e-02 8.799999999999999e-15 -4.357625371653739e-15 PASS
Forces [step 20] 7.966699321588111e-02 7.966699321588180e-02 4.000000000000000e-14 -6.938893903907228e-16 PASS
Compare to other inputs