Input 01-propagators.03-etrs_taylor.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 8.300000000000000e-14 -1.421085471520200e-14 PASS
Energy [step 20] -1.060634834378747e+01 -1.060634834378750e+01 5.300000000000000e-13 2.664535259100376e-14 PASS
Multipoles [step 0] -1.233658926966599e-15 2.282730401188460e-15 4.670000000000000e-15 -3.516389328155059e-15 PASS
Multipoles [step 20] -1.265540767271405e-01 -1.265540767271380e-01 6.330000000000000e-15 -2.525757381022231e-15 PASS
Forces [step 0] 8.537491810749165e-02 8.537491810749601e-02 8.799999999999999e-15 -4.357625371653739e-15 PASS
Forces [step 20] 7.966818746569704e-02 7.966818746569601e-02 3.980000000000000e-15 1.026956297778270e-15 PASS
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