Input 01-propagators.03-etrs_taylor.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 8.300000000000000e-14 -1.776356839400250e-15 PASS
Energy [step 20] -1.060634834378747e+01 -1.060634834378750e+01 5.300000000000000e-13 2.664535259100376e-14 PASS
Multipoles [step 0] 1.405064907196267e-15 2.282730401188460e-15 4.670000000000000e-15 -8.776654939921929e-16 PASS
Multipoles [step 20] -1.265540767271358e-01 -1.265540767271380e-01 6.330000000000000e-15 2.220446049250313e-15 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.966818746569926e-02 7.966818746569601e-02 3.980000000000000e-15 3.247402347028583e-15 PASS
Compare to other inputs