Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894077e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | -4.440892098500626e-15 | PASS |
| Energy [step 5] | -5.157327347418498e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | -3.108624468950438e-15 | PASS |
| Energy [step 10] | -5.157327347417112e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -1.332267629550188e-14 | PASS |
| Energy [step 15] | -5.157327347416641e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -7.105427357601002e-15 | PASS |
| Energy [step 20] | -5.157327347416819e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.598721155460225e-14 | PASS |
| Dipole [step 1] | -4.479360242101715e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -3.741438235277200e-15 | PASS |
| Dipole [step 5] | -1.928247888208935e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -4.274358644806853e-15 | PASS |
| Dipole [step 10] | -3.545495747886718e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -4.385380947269368e-15 | PASS |
| Dipole [step 15] | -4.859689858458486e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -3.608224830031759e-15 | PASS |
| Dipole [step 20] | -6.087120870676890e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 2.220446049250313e-16 | PASS |