Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893944e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 6.661338147750939e-15 | PASS |
| Energy [step 5] | -5.157327347418356e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 1.554312234475219e-14 | PASS |
| Energy [step 10] | -5.157327347417050e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -7.105427357601002e-15 | PASS |
| Energy [step 15] | -5.157327347416606e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 20] | -5.157327347416775e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 2.042810365310288e-14 | PASS |
| Dipole [step 1] | 1.877192188314263e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 2.615114195138778e-15 | PASS |
| Dipole [step 5] | -1.928247888208881e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 1.082467449009528e-15 | PASS |
| Dipole [step 10] | -3.545495747886662e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 1.165734175856414e-15 | PASS |
| Dipole [step 15] | -4.859689858458445e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | 1.387778780781446e-15 | PASS |
| Dipole [step 20] | -6.087120870676858e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 3.441691376337985e-15 | PASS |