Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873567e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.020000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.020000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 15] | -1.012563491015764e+01 | -1.012563491015765e+01 | 1.020000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 20] | -1.011739812323845e+01 | -1.011739812323845e+01 | 1.020000000000000e-13 | 0.000000000000000e+00 | PASS |
| Dipole [step 1] | -1.698147116088906e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | -6.590387212194464e-16 | PASS |
| Dipole [step 5] | -3.955586853259928e-01 | -3.955586853259905e-01 | 1.300000000000000e-14 | -2.331468351712829e-15 | PASS |
| Dipole [step 10] | -7.406750729061546e-01 | -7.406750729061549e-01 | 1.300000000000000e-14 | 2.220446049250313e-16 | PASS |
| Dipole [step 15] | -1.039084057464597e+00 | -1.039084057464601e+00 | 1.300000000000000e-14 | 3.552713678800501e-15 | PASS |
| Dipole [step 20] | -1.295829936532786e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -6.217248937900877e-15 | PASS |