Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894006e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 2.664535259100376e-15 | PASS |
| Energy [step 5] | -5.157327347418373e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 9.325873406851315e-15 | PASS |
| Energy [step 10] | -5.157327347416988e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -8.881784197001252e-16 | PASS |
| Energy [step 15] | -5.157327347416579e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -8.881784197001252e-16 | PASS |
| Energy [step 20] | -5.157327347416713e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 2.664535259100376e-14 | PASS |
| Dipole [step 1] | -3.498078413846812e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -2.760156407022298e-15 | PASS |
| Dipole [step 5] | -1.928247888208927e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -3.469446951953614e-15 | PASS |
| Dipole [step 10] | -3.545495747886699e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -2.553512956637860e-15 | PASS |
| Dipole [step 15] | -4.859689858458466e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -1.609823385706477e-15 | PASS |
| Dipole [step 20] | -6.087120870676905e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -1.332267629550188e-15 | PASS |