Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
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 | 8.881784197001252e-15 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.842170943040401e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.953992523340276e-14 | PASS |
| Dipole [step 1] | 4.492933802779930e-15 | -1.039108394869460e-15 | 5.830000000000000e-15 | 5.532042197649390e-15 | PASS |
| Dipole [step 5] | -3.955586853259849e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | 5.551115123125783e-15 | PASS |
| Dipole [step 10] | -7.406750729061490e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 5.884182030513330e-15 | PASS |
| Dipole [step 15] | -1.039084057464605e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | -3.774758283725532e-15 | PASS |
| Dipole [step 20] | -1.295829936532782e+00 | -1.295829936532786e+00 | 1.300000000000000e-14 | 3.774758283725532e-15 | PASS |