Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893890e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 1.199040866595169e-14 | PASS |
| Energy [step 5] | -5.157327347418444e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 6.661338147750939e-15 | PASS |
| Energy [step 10] | -5.157327347417006e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -2.664535259100376e-15 | PASS |
| Energy [step 15] | -5.157327347416633e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 7.549516567451064e-15 | PASS |
| Energy [step 20] | -5.157327347416908e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | 2.211071169905265e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 2.948993176729780e-15 | PASS |
| Dipole [step 5] | -1.928247888208878e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 1.415534356397075e-15 | PASS |
| Dipole [step 10] | -3.545495747886652e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 2.220446049250313e-15 | PASS |
| Dipole [step 15] | -4.859689858458432e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | 2.664535259100376e-15 | PASS |
| Dipole [step 20] | -6.087120870676881e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 1.110223024625157e-15 | PASS |