Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893651e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 3.819167204710538e-14 | PASS |
| Energy [step 5] | -5.157327347418329e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.376676550535194e-14 | PASS |
| Energy [step 10] | -5.157327347417023e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -4.440892098500626e-15 | PASS |
| Energy [step 15] | -5.157327347416766e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -1.953992523340276e-14 | FAIL |
| Energy [step 20] | -5.157327347416926e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 5.329070518200751e-15 | PASS |
| Dipole [step 1] | 2.426569931318970e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 3.164491938143485e-15 | PASS |
| Dipole [step 5] | -1.928247888208873e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 1.915134717478395e-15 | PASS |
| Dipole [step 10] | -3.545495747886662e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 1.221245327087672e-15 | PASS |
| Dipole [step 15] | -4.859689858458432e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | 1.776356839400250e-15 | PASS |
| Dipole [step 20] | -6.087120870676872e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 1.998401444325282e-15 | PASS |