Input 15-crank_nicolson.03-freeze_domains.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.309263891220326e-14 | PASS |
| Dipole [step 1] | 3.344546861683284e-15 | -7.216449660063501e-16 | 8.000000000000001e-15 | 4.066191827689634e-15 | PASS |
| Dipole [step 5] | -3.955586853259848e-01 | -3.955586853259932e-01 | 9.279999999999999e-15 | 8.437694987151190e-15 | PASS |
| Dipole [step 10] | -7.406750729061538e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 1.110223024625157e-15 | PASS |
| Dipole [step 15] | -1.039084057464603e+00 | -1.039084057464608e+00 | 1.940000000000000e-14 | 5.329070518200751e-15 | PASS |
| Dipole [step 20] | -1.295829936532782e+00 | -1.295829936532780e+00 | 1.490000000000000e-14 | -2.442490654175344e-15 | PASS |
| Projections | 9.540979117872439e-18 | 1.179611963664229e-16 | 3.610000000000000e-14 | -1.084202172485504e-16 | PASS |
| Projections | 9.999999999999994e-01 | 1.000000000000000e+00 | 3.940000000000000e-14 | -5.551115123125783e-16 | PASS |