Input 15-crank_nicolson.03-freeze_domains.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873565e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 5] | -1.014067705119929e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 15] | -1.012563491015761e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 4.263256414560601e-14 | PASS |
| Energy [step 20] | -1.011739812323842e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 3.019806626980426e-14 | PASS |
| Dipole [step 1] | -7.105427357601002e-15 | -7.216449660063501e-16 | 8.000000000000001e-15 | -6.383782391594652e-15 | PASS |
| Dipole [step 5] | -3.955586853260016e-01 | -3.955586853259932e-01 | 9.279999999999999e-15 | -8.382183835919932e-15 | PASS |
| Dipole [step 10] | -7.406750729061509e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 3.996802888650564e-15 | PASS |
| Dipole [step 15] | -1.039084057464622e+00 | -1.039084057464608e+00 | 1.940000000000000e-14 | -1.421085471520200e-14 | PASS |
| Dipole [step 20] | -1.295829936532773e+00 | -1.295829936532780e+00 | 1.490000000000000e-14 | 7.327471962526033e-15 | PASS |
| Projections | -6.245004513516506e-17 | 1.179611963664229e-16 | 3.610000000000000e-14 | -1.804112415015879e-16 | PASS |
| Projections | 9.999999999999997e-01 | 1.000000000000000e+00 | 3.940000000000000e-14 | -3.330669073875470e-16 | PASS |