Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893917e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 9.325873406851315e-15 | PASS |
| Energy [step 5] | -5.157327347418729e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | -2.176037128265307e-14 | PASS |
| Energy [step 10] | -5.157327347416899e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 7.993605777301127e-15 | PASS |
| Energy [step 15] | -5.157327347416641e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 6.661338147750939e-15 | PASS |
| Energy [step 20] | -5.157327347416872e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.065814103640150e-14 | PASS |
| Dipole [step 1] | 3.431364933403729e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 4.169286940228244e-15 | PASS |
| Dipole [step 5] | -1.928247888208865e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 2.692290834716005e-15 | PASS |
| Dipole [step 10] | -3.545495747886636e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 3.774758283725532e-15 | PASS |
| Dipole [step 15] | -4.859689858458426e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | 3.330669073875470e-15 | PASS |
| Dipole [step 20] | -6.087120870676829e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 6.328271240363392e-15 | PASS |