Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894175e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | -1.421085471520200e-14 | PASS |
| Energy [step 5] | -5.157327347418542e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | -7.549516567451064e-15 | PASS |
| Energy [step 10] | -5.157327347416837e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 1.421085471520200e-14 | PASS |
| Energy [step 15] | -5.157327347416490e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 7.993605777301127e-15 | PASS |
| Energy [step 20] | -5.157327347416988e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | -8.881784197001252e-16 | PASS |
| Dipole [step 1] | -4.055539473582330e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -3.317617466757815e-15 | PASS |
| Dipole [step 5] | -1.928247888208937e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -4.524158825347513e-15 | PASS |
| Dipole [step 10] | -3.545495747886711e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -3.663735981263017e-15 | PASS |
| Dipole [step 15] | -4.859689858458494e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -4.385380947269368e-15 | PASS |
| Dipole [step 20] | -6.087120870676916e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -2.442490654175344e-15 | PASS |