Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 8.881784197001252e-15 | 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 | 7.105427357601002e-15 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.197442310920451e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.309263891220326e-14 | PASS |
| Dipole [step 1] | 4.111294638065033e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 5.150403032934493e-15 | PASS |
| Dipole [step 5] | -3.955586853259846e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 5.884182030513330e-15 | PASS |
| Dipole [step 10] | -7.406750729061486e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 6.217248937900877e-15 | PASS |
| Dipole [step 15] | -1.039084057464603e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -1.998401444325282e-15 | PASS |
| Dipole [step 20] | -1.295829936532779e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | 8.881784197001252e-16 | PASS |