Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 5] | -1.014067705119929e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 3.375077994860476e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.842170943040401e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 5.329070518200751e-15 | PASS |
| Dipole [step 1] | -3.498529591028365e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 6.892554357666234e-16 | PASS |
| Dipole [step 5] | -3.955586853259893e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 1.221245327087672e-15 | PASS |
| Dipole [step 10] | -7.406750729061514e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 3.441691376337985e-15 | PASS |
| Dipole [step 15] | -1.039084057464608e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -6.883382752675971e-15 | PASS |
| Dipole [step 20] | -1.295829936532783e+00 | -1.295829936532786e+00 | 1.300000000000000e-14 | 2.886579864025407e-15 | PASS |