Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893864e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 1.687538997430238e-14 | PASS |
| Energy [step 5] | -5.157327347418427e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 3.996802888650564e-15 | PASS |
| Energy [step 10] | -5.157327347416855e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 1.243449787580175e-14 | PASS |
| Energy [step 15] | -5.157327347416606e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -5.157327347416792e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.865174681370263e-14 | PASS |
| Dipole [step 1] | -2.689294099911255e-16 | -7.379220068245151e-16 | 5.560000000000000e-15 | 4.689925968333895e-16 | PASS |
| Dipole [step 5] | -1.928247888208900e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -8.326672684688674e-16 | PASS |
| Dipole [step 10] | -3.545495747886676e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -2.220446049250313e-16 | PASS |
| Dipole [step 15] | -4.859689858458453e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -2.775557561562891e-16 | PASS |
| Dipole [step 20] | -6.087120870676894e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -2.220446049250313e-16 | PASS |