Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 15] | -1.012563491015761e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.730349362740526e-14 | PASS |
| Energy [step 20] | -1.011739812323842e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.842170943040401e-14 | PASS |
| Dipole [step 1] | 3.885780586188048e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 1.427686453488265e-15 | PASS |
| Dipole [step 5] | -3.955586853259892e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 1.276756478318930e-15 | PASS |
| Dipole [step 10] | -7.406750729061518e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 3.108624468950438e-15 | PASS |
| Dipole [step 15] | -1.039084057464607e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -5.551115123125783e-15 | PASS |
| Dipole [step 20] | -1.295829936532785e+00 | -1.295829936532786e+00 | 1.300000000000000e-14 | 1.110223024625157e-15 | PASS |