Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873567e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 10] | -1.013381790798763e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Dipole [step 1] | -3.910066714851723e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | -2.870958319982263e-15 | PASS |
| Dipole [step 5] | -3.955586853259933e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | -2.775557561562891e-15 | PASS |
| Dipole [step 10] | -7.406750729061562e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | -1.332267629550188e-15 | PASS |
| Dipole [step 15] | -1.039084057464611e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -9.992007221626409e-15 | PASS |
| Dipole [step 20] | -1.295829936532786e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -6.439293542825908e-15 | PASS |