Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2023a_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] -1.059303740001095e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.094946355806314e-11 PASS
Multipoles [step 0] 2.734844150459065e-15 2.282730401188460e-15 4.670000000000000e-15 4.521137492706057e-16 PASS
Multipoles [step 20] -1.269358520168059e-01 -1.269358520168070e-01 6.100000000000000e-15 1.082467449009528e-15 PASS
Forces [step 0] 8.537491810749254e-02 8.537491810749601e-02 8.799999999999999e-15 -3.469446951953614e-15 PASS
Forces [step 20] 7.713156481503791e-02 7.713156481503500e-02 4.000000000000000e-14 2.914335439641036e-15 PASS
Compare to other inputs