Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 15] | -1.012563491015761e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.552713678800501e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Dipole [step 1] | -2.844946500601964e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 7.546137448092637e-16 | PASS |
| Dipole [step 5] | -3.955586853259889e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 1.554312234475219e-15 | PASS |
| Dipole [step 10] | -7.406750729061509e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 3.996802888650564e-15 | PASS |
| Dipole [step 15] | -1.039084057464607e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -6.217248937900877e-15 | PASS |
| Dipole [step 20] | -1.295829936532785e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -4.662936703425657e-15 | PASS |