Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433465e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.964959635257474e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.068589661201713e-15 | PASS |
| Energy [step 1] | -1.060686608766765e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.375077994860476e-14 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
| Multipoles [step 1] | -1.170343729155372e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -1.352776838302056e-15 | PASS |
| Multipoles [step 20] | -1.265304528942188e-01 | -1.265304528942171e-01 | 6.810000000000000e-15 | -1.665334536937735e-15 | PASS |