Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873568e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -1.014067705119932e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | -1.776356839400250e-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 | 8.881784197001252e-15 | PASS |
| Energy [step 20] | -1.011739812323845e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.776356839400250e-15 | PASS |
| Dipole [step 1] | -4.671853724193264e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 5.719230224501336e-16 | PASS |
| Dipole [step 5] | -3.955586853259906e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | -1.110223024625157e-16 | PASS |
| Dipole [step 10] | -7.406750729061522e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 2.664535259100376e-15 | PASS |
| Dipole [step 15] | -1.039084057464594e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 6.661338147750939e-15 | PASS |
| Dipole [step 20] | -1.295829936532782e+00 | -1.295829936532786e+00 | 1.300000000000000e-14 | 4.440892098500626e-15 | PASS |