Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873565e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.065814103640150e-14 | PASS |
| Dipole [step 1] | 3.475299454951900e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 4.514407849821360e-15 | PASS |
| Dipole [step 5] | -3.955586853259874e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 3.108624468950438e-15 | PASS |
| Dipole [step 10] | -7.406750729061490e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 5.884182030513330e-15 | PASS |
| Dipole [step 15] | -1.039084057464591e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 1.043609643147647e-14 | PASS |
| Dipole [step 20] | -1.295829936532779e+00 | -1.295829936532786e+00 | 1.300000000000000e-14 | 6.661338147750939e-15 | PASS |