Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873569e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 5] | -1.014067705119933e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 10] | -1.013381790798763e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 15] | -1.012563491015764e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 8.881784197001252e-15 | PASS |
| Dipole [step 1] | -1.900222533035394e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 8.490861415659207e-16 | PASS |
| Dipole [step 5] | -3.955586853259895e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 9.992007221626409e-16 | PASS |
| Dipole [step 10] | -7.406750729061520e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 2.886579864025407e-15 | PASS |
| Dipole [step 15] | -1.039084057464594e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 7.327471962526033e-15 | PASS |
| Dipole [step 20] | -1.295829936532780e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -2.220446049250313e-16 | PASS |