Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 8.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 2.131628207280301e-14 PASS
Multipoles [step 0] 4.397763403440891e-15 2.282730401188460e-15 4.670000000000000e-15 2.115033002252431e-15 PASS
Multipoles [step 20] -1.265540767271365e-01 -1.265540767271380e-01 6.330000000000000e-15 1.471045507628332e-15 PASS
Forces [step 0] 8.537491810749076e-02 8.537491810749601e-02 8.799999999999999e-15 -5.245803791353865e-15 PASS
Forces [step 20] 7.966818746569615e-02 7.966818746569601e-02 3.980000000000000e-15 1.387778780781446e-16 PASS
Compare to other inputs