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 |