Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873567e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 5] | -1.014067705119932e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 10] | -1.013381790798764e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.011739812323845e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 3.552713678800501e-15 | PASS |
| Dipole [step 1] | 2.220446049250313e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 1.261152999794491e-15 | PASS |
| Dipole [step 5] | -3.955586853259919e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | -1.443289932012704e-15 | PASS |
| Dipole [step 10] | -7.406750729061544e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 4.440892098500626e-16 | PASS |
| Dipole [step 15] | -1.039084057464597e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 3.552713678800501e-15 | PASS |
| Dipole [step 20] | -1.295829936532778e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | 1.776356839400250e-15 | PASS |