Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894006e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 4.440892098500626e-16 | PASS |
| Energy [step 5] | -5.157327347418489e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 2.220446049250313e-15 | PASS |
| Energy [step 10] | -5.157327347417050e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -7.105427357601002e-15 | PASS |
| Energy [step 15] | -5.157327347416713e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | -4.440892098500626e-16 | PASS |
| Energy [step 20] | -5.157327347416899e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 7.993605777301127e-15 | PASS |
| Dipole [step 1] | -3.950699142829528e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -3.212777136005013e-15 | PASS |
| Dipole [step 5] | -1.928247888208930e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -3.858025010572419e-15 | PASS |
| Dipole [step 10] | -3.545495747886723e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -4.884981308350689e-15 | FAIL |
| Dipole [step 15] | -4.859689858458490e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | -3.108624468950438e-15 | PASS |
| Dipole [step 20] | -6.087120870676941e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -4.884981308350689e-15 | PASS |