Input 01-propagators.06-aetrs.inp

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Run eb_foss-2022a_mpi_debug

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] -1.219374759855747e-15 2.282730401188460e-15 4.670000000000000e-15 -3.502105161044206e-15 PASS
Multipoles [step 20] -1.265513823243643e-01 -1.265513823243620e-01 6.330000000000000e-15 -2.331468351712829e-15 PASS
Forces [step 0] 8.537491810749032e-02 8.537491810749601e-02 8.300000000000000e-15 -5.689893001203927e-15 PASS
Forces [step 20] 7.966699321588377e-02 7.966699321588180e-02 4.000000000000000e-14 1.970645868709653e-15 PASS
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