Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
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 | -2.309263891220326e-14 | PASS |
| Energy [step 5] | -1.014067705119933e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 10] | -1.013381790798763e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 15] | -1.012563491015765e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 20] | -1.011739812323845e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 0.000000000000000e+00 | PASS |
| Dipole [step 1] | 1.864286435187927e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 2.903394830057387e-15 | PASS |
| Dipole [step 5] | -3.955586853259871e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 3.330669073875470e-15 | PASS |
| Dipole [step 10] | -7.406750729061495e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 5.329070518200751e-15 | PASS |
| Dipole [step 15] | -1.039084057464593e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 8.215650382226158e-15 | PASS |
| Dipole [step 20] | -1.295829936532778e+00 | -1.295829936532786e+00 | 1.300000000000000e-14 | 7.993605777301127e-15 | PASS |