Input 01-propagators.06-aetrs.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.019806626980426e-14 PASS
Energy [step 20] -1.060634982716842e+01 -1.060634982716840e+01 5.300000000000000e-13 -2.131628207280301e-14 PASS
Multipoles [step 0] -6.307347222636595e-16 2.282730401188460e-15 4.670000000000000e-15 -2.913465123452119e-15 PASS
Multipoles [step 20] -1.265513823243657e-01 -1.265513823243620e-01 6.330000000000000e-15 -3.691491556878645e-15 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.966699321588067e-02 7.966699321588180e-02 4.000000000000000e-14 -1.137978600240785e-15 PASS
Compare to other inputs