Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873564e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 3.375077994860476e-14 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | 2.820971422765311e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 3.860079817634771e-15 | PASS |
| Dipole [step 5] | -3.955586853259874e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 3.108624468950438e-15 | PASS |
| Dipole [step 10] | -7.406750729061501e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 4.773959005888173e-15 | PASS |
| Dipole [step 15] | -1.039084057464592e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 8.659739592076221e-15 | PASS |
| Dipole [step 20] | -1.295829936532781e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -8.881784197001252e-16 | PASS |