Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.020000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 10] | -1.013381790798763e+01 | -1.013381790798763e+01 | 1.020000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.020000000000000e-13 | 3.197442310920451e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.020000000000000e-13 | 1.598721155460225e-14 | PASS |
| Dipole [step 1] | -5.551115123125783e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | -4.512006728256323e-15 | PASS |
| Dipole [step 5] | -3.955586853259959e-01 | -3.955586853259905e-01 | 1.300000000000000e-14 | -5.440092820663267e-15 | PASS |
| Dipole [step 10] | -7.406750729061572e-01 | -7.406750729061549e-01 | 1.300000000000000e-14 | -2.331468351712829e-15 | PASS |
| Dipole [step 15] | -1.039084057464603e+00 | -1.039084057464601e+00 | 1.300000000000000e-14 | -1.554312234475219e-15 | PASS |
| Dipole [step 20] | -1.295829936532780e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | 2.220446049250313e-16 | PASS |