Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894397e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | -3.641531520770513e-14 | PASS |
| Energy [step 5] | -5.157327347418542e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | -7.549516567451064e-15 | PASS |
| Energy [step 10] | -5.157327347417165e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -1.865174681370263e-14 | PASS |
| Energy [step 15] | -5.157327347416695e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | -1.243449787580175e-14 | PASS |
| Energy [step 20] | -5.157327347416952e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 2.664535259100376e-15 | PASS |
| Dipole [step 1] | 6.887278223319075e-16 | -7.379220068245151e-16 | 5.560000000000000e-15 | 1.426649829156423e-15 | PASS |
| Dipole [step 5] | -1.928247888208893e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -1.110223024625157e-16 | PASS |
| Dipole [step 10] | -3.545495747886649e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 2.442490654175344e-15 | PASS |
| Dipole [step 15] | -4.859689858458476e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -2.553512956637860e-15 | PASS |
| Dipole [step 20] | -6.087120870676900e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -7.771561172376096e-16 | PASS |