Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > 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] -1.060634829657865e+01 -1.060634829657860e+01 5.300000000000000e-13 -5.151434834260726e-14 PASS
Multipoles [step 0] -6.307347222636595e-16 2.282730401188460e-15 4.670000000000000e-15 -2.913465123452119e-15 PASS
Multipoles [step 20] -1.265868442787707e-01 -1.265868442788090e-01 9.620000000000000e-14 3.830269434956790e-14 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.967282081337990e-02 7.967282081340320e-02 3.150000000000000e-14 -2.330080572932047e-14 PASS
Compare to other inputs