Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.065814103640150e-14 | PASS |
| Dipole [step 1] | -7.755344218381144e-17 | -1.039108394869460e-15 | 5.830000000000000e-15 | 9.615549526856487e-16 | PASS |
| Dipole [step 5] | -3.955586853259896e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 8.326672684688674e-16 | PASS |
| Dipole [step 10] | -7.406750729061538e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 1.110223024625157e-15 | PASS |
| Dipole [step 15] | -1.039084057464593e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 7.771561172376096e-15 | PASS |
| Dipole [step 20] | -1.295829936532784e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -3.996802888650564e-15 | PASS |