Input 01-propagators.03-etrs_taylor.inp

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > Run spack_foss-2022a_serial_min

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] -1.060634834378749e+01 -1.060634834378750e+01 5.300000000000000e-13 1.421085471520200e-14 PASS
Multipoles [step 0] 2.734844150459065e-15 2.282730401188460e-15 4.670000000000000e-15 4.521137492706057e-16 PASS
Multipoles [step 20] -1.265540767271369e-01 -1.265540767271380e-01 6.330000000000000e-15 1.137978600240785e-15 PASS
Forces [step 0] 8.537491810749254e-02 8.537491810749601e-02 8.300000000000000e-15 -3.469446951953614e-15 PASS
Forces [step 20] 7.966818746569615e-02 7.966818746569601e-02 3.980000000000000e-15 1.387778780781446e-16 PASS
Compare to other inputs