Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894219e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | -1.865174681370263e-14 | PASS |
| Energy [step 5] | -5.157327347418400e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 6.661338147750939e-15 | PASS |
| Energy [step 10] | -5.157327347416846e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 1.332267629550188e-14 | PASS |
| Energy [step 15] | -5.157327347416659e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -8.881784197001252e-15 | PASS |
| Energy [step 20] | -5.157327347416766e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 2.131628207280301e-14 | PASS |
| Dipole [step 1] | -4.108206450807034e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -3.370284443982519e-15 | PASS |
| Dipole [step 5] | -1.928247888208930e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -3.774758283725532e-15 | PASS |
| Dipole [step 10] | -3.545495747886712e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -3.774758283725532e-15 | PASS |
| Dipole [step 15] | -4.859689858458482e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -3.164135620181696e-15 | PASS |
| Dipole [step 20] | -6.087120870676923e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -3.108624468950438e-15 | PASS |