Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | 2.466113251109459e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 1.285719719980406e-15 | PASS |
| Dipole [step 5] | -3.955586853259889e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 1.554312234475219e-15 | PASS |
| Dipole [step 10] | -7.406750729061523e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 2.553512956637860e-15 | PASS |
| Dipole [step 15] | -1.039084057464608e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -7.327471962526033e-15 | PASS |
| Dipole [step 20] | -1.295829936532784e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -4.218847493575595e-15 | PASS |