Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893748e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 2.842170943040401e-14 | PASS |
| Energy [step 5] | -5.157327347418329e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.376676550535194e-14 | PASS |
| Energy [step 10] | -5.157327347416828e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 1.509903313490213e-14 | PASS |
| Energy [step 15] | -5.157327347416570e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 0.000000000000000e+00 | PASS |
| Energy [step 20] | -5.157327347416784e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.953992523340276e-14 | PASS |
| Dipole [step 1] | -2.724231972818514e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -1.986309965993999e-15 | PASS |
| Dipole [step 5] | -1.928247888208913e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -2.109423746787797e-15 | PASS |
| Dipole [step 10] | -3.545495747886699e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -2.498001805406602e-15 | PASS |
| Dipole [step 15] | -4.859689858458464e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -1.332267629550188e-15 | PASS |
| Dipole [step 20] | -6.087120870676911e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -1.887379141862766e-15 | PASS |