Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893979e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 3.108624468950438e-15 | PASS |
| Energy [step 5] | -5.157327347418400e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 1.110223024625157e-14 | PASS |
| Energy [step 10] | -5.157327347416970e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 8.881784197001252e-16 | PASS |
| Energy [step 15] | -5.157327347416695e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 1.332267629550188e-15 | PASS |
| Energy [step 20] | -5.157327347416846e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.332267629550188e-14 | PASS |
| Dipole [step 1] | 4.319919422179908e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 5.057841429004423e-15 | PASS |
| Dipole [step 5] | -1.928247888208850e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 4.191091917959966e-15 | PASS |
| Dipole [step 10] | -3.545495747886634e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 3.941291737419306e-15 | PASS |
| Dipole [step 15] | -4.859689858458414e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | 4.551914400963142e-15 | PASS |
| Dipole [step 20] | -6.087120870676850e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 4.218847493575595e-15 | PASS |