Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894068e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | -3.552713678800501e-15 | PASS |
| Energy [step 5] | -5.157327347418365e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 10] | -5.157327347417130e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -1.509903313490213e-14 | PASS |
| Energy [step 15] | -5.157327347416624e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -5.329070518200751e-15 | PASS |
| Energy [step 20] | -5.157327347416899e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 7.993605777301127e-15 | PASS |
| Dipole [step 1] | -1.596740196118350e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -8.588181892938348e-16 | PASS |
| Dipole [step 5] | -1.928247888208907e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -1.498801083243961e-15 | PASS |
| Dipole [step 10] | -3.545495747886688e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -1.387778780781446e-15 | PASS |
| Dipole [step 15] | -4.859689858458470e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -1.998401444325282e-15 | PASS |
| Dipole [step 20] | -6.087120870676896e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -4.440892098500626e-16 | PASS |