Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894086e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | -7.549516567451064e-15 | PASS |
| Energy [step 5] | -5.157327347418285e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 2.264854970235319e-14 | PASS |
| Energy [step 10] | -5.157327347416704e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 2.753353101070388e-14 | PASS |
| Energy [step 15] | -5.157327347416570e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 1.376676550535194e-14 | PASS |
| Energy [step 20] | -5.157327347416908e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | -1.693757743922390e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -9.558357370978744e-16 | PASS |
| Dipole [step 5] | -1.928247888208919e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -2.692290834716005e-15 | PASS |
| Dipole [step 10] | -3.545495747886665e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 8.881784197001252e-16 | PASS |
| Dipole [step 15] | -4.859689858458459e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | 5.551115123125783e-17 | PASS |
| Dipole [step 20] | -6.087120870676910e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -1.776356839400250e-15 | PASS |