Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 > Run foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 2.486899575160351e-14 PASS
Multipoles [step 0] 8.651477971521881e-16 2.282730401188460e-15 4.670000000000000e-15 -1.417582604036272e-15 PASS
Multipoles [step 20] -1.265540767271375e-01 -1.265540767271380e-01 6.330000000000000e-15 4.718447854656915e-16 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.300000000000000e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.966818746569526e-02 7.966818746569601e-02 3.980000000000000e-15 -7.494005416219807e-16 PASS
Compare to other inputs