Input 02-propagators.02-cnsparskit.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537673799433332e-02 8.537673799433354e-02 1.250000000000000e-14 -2.220446049250313e-16 PASS
Forces [step 20] 7.964959635257474e-02 7.964959635257580e-02 7.040000000000000e-15 -1.068589661201713e-15 PASS
Energy [step 1] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.060637261154881e+01 -1.060637261154880e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 1] 2.761706390918412e-15 1.824331091466839e-16 4.490000000000000e-15 2.579273281771728e-15 PASS
Multipoles [step 20] -1.265304528942180e-01 -1.265304528942171e-01 6.810000000000000e-15 -8.881784197001252e-16 PASS
Compare to other inputs