Input 02-propagators.02-cnsparskit.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_cuda_serial

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] 7.964818149493791e-02 7.964818149493391e-02 5.370000000000000e-15 3.996802888650564e-15 PASS
Energy [step 1] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 0.000000000000000e+00 PASS
Energy [step 20] -1.060634890211195e+01 -1.060634890211200e+01 5.300000000000000e-12 4.973799150320701e-14 PASS
Multipoles [step 1] 1.405064907196267e-15 2.282730401188460e-15 4.670000000000000e-15 -8.776654939921929e-16 PASS
Multipoles [step 20] -1.265308695811624e-01 -1.265308695811640e-01 6.330000000000000e-15 1.554312234475219e-15 PASS
Compare to other inputs