Input 02-propagators.02-cnsparskit.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749476e-02 8.537491810749601e-02 8.300000000000000e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.964818149493391e-02 7.964818149493391e-02 5.370000000000000e-15 0.000000000000000e+00 PASS
Energy [step 1] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.019806626980426e-14 PASS
Energy [step 20] -1.060634890211197e+01 -1.060634890211200e+01 5.300000000000000e-12 3.197442310920451e-14 PASS
Multipoles [step 1] -6.307347222636595e-16 2.282730401188460e-15 4.670000000000000e-15 -2.913465123452119e-15 PASS
Multipoles [step 20] -1.265308695811670e-01 -1.265308695811640e-01 6.330000000000000e-15 -2.997602166487923e-15 PASS
Compare to other inputs