Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893935e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 7.549516567451064e-15 | PASS |
| Energy [step 5] | -5.157327347418418e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 9.325873406851315e-15 | PASS |
| Energy [step 10] | -5.157327347416908e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 7.105427357601002e-15 | PASS |
| Energy [step 15] | -5.157327347416801e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | -9.325873406851315e-15 | PASS |
| Energy [step 20] | -5.157327347417183e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | -2.042810365310288e-14 | PASS |
| Dipole [step 1] | -1.648851709465035e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -9.109297026405198e-16 | PASS |
| Dipole [step 5] | -1.928247888208911e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -1.887379141862766e-15 | PASS |
| Dipole [step 10] | -3.545495747886702e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -2.775557561562891e-15 | PASS |
| Dipole [step 15] | -4.859689858458489e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | -2.942091015256665e-15 | PASS |
| Dipole [step 20] | -6.087120870676919e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -2.664535259100376e-15 | PASS |