Input 01-propagators.06-aetrs.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 0.000000000000000e+00 PASS
Energy [step 20] -1.060634982716840e+01 -1.060634982716840e+01 5.300000000000000e-13 0.000000000000000e+00 PASS
Multipoles [step 0] 3.468993768998042e-15 2.282730401188460e-15 4.670000000000000e-15 1.186263367809582e-15 PASS
Multipoles [step 20] -1.265513823243566e-01 -1.265513823243620e-01 6.330000000000000e-15 5.356826093816380e-15 PASS
Forces [step 0] 8.537491810749787e-02 8.537491810749601e-02 8.799999999999999e-15 1.859623566247137e-15 PASS
Forces [step 20] 7.966699321587933e-02 7.966699321588180e-02 4.000000000000000e-14 -2.470246229790973e-15 PASS
Compare to other inputs