Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893962e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 7.105427357601002e-15 | PASS |
| Energy [step 5] | -5.157327347418365e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 10] | -5.157327347417014e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -3.552713678800501e-15 | PASS |
| Energy [step 15] | -5.157327347416748e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -1.776356839400250e-14 | PASS |
| Energy [step 20] | -5.157327347416943e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 3.552713678800501e-15 | PASS |
| Dipole [step 1] | -3.766749302606172e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -3.028827295781657e-15 | PASS |
| Dipole [step 5] | -1.928247888208931e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -3.913536161803677e-15 | PASS |
| Dipole [step 10] | -3.545495747886714e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -3.996802888650564e-15 | PASS |
| Dipole [step 15] | -4.859689858458491e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -4.107825191113079e-15 | PASS |
| Dipole [step 20] | -6.087120870676945e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -5.329070518200751e-15 | PASS |