Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
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 | 1.953992523340276e-14 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.375077994860476e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Dipole [step 1] | 1.512678871051776e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 2.551787265921236e-15 | PASS |
| Dipole [step 5] | -3.955586853259873e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 3.219646771412954e-15 | PASS |
| Dipole [step 10] | -7.406750729061509e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 3.996802888650564e-15 | PASS |
| Dipole [step 15] | -1.039084057464605e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -3.774758283725532e-15 | PASS |
| Dipole [step 20] | -1.295829936532781e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -1.554312234475219e-15 | PASS |