Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873568e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | -1.065814103640150e-14 | PASS |
| Energy [step 5] | -1.014067705119932e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 15] | -1.012563491015764e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | 1.579972176040442e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 2.619080570909902e-15 | PASS |
| Dipole [step 5] | -3.955586853259899e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 5.551115123125783e-16 | PASS |
| Dipole [step 10] | -7.406750729061551e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | -2.220446049250313e-16 | PASS |
| Dipole [step 15] | -1.039084057464596e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 5.329070518200751e-15 | PASS |
| Dipole [step 20] | -1.295829936532787e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -7.327471962526033e-15 | PASS |