Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894290e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | -2.575717417130363e-14 | PASS |
| Energy [step 5] | -5.157327347418214e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 2.531308496145357e-14 | PASS |
| Energy [step 10] | -5.157327347417023e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -4.440892098500626e-15 | PASS |
| Energy [step 15] | -5.157327347416393e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 1.776356839400250e-14 | PASS |
| Energy [step 20] | -5.157327347416739e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 2.398081733190338e-14 | PASS |
| Dipole [step 1] | 3.929287437413019e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 4.667209444237534e-15 | PASS |
| Dipole [step 5] | -1.928247888208857e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 3.469446951953614e-15 | PASS |
| Dipole [step 10] | -3.545495747886639e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 3.497202527569243e-15 | PASS |
| Dipole [step 15] | -4.859689858458406e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | 4.440892098500626e-15 | PASS |
| Dipole [step 20] | -6.087120870676850e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 4.218847493575595e-15 | PASS |