Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637205318230e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | -3.735878793820202e-17 | 1.824331091466839e-16 | 4.490000000000000e-15 | -2.197918970848859e-16 | PASS |
| Multipoles [step 20] | -1.265536606512528e-01 | -1.265536606512522e-01 | 4.000000000000000e-15 | -5.551115123125783e-16 | PASS |
| Forces [step 0] | 8.537673799433465e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966960326023287e-02 | 7.966960326023464e-02 | 7.820000000000000e-15 | -1.776356839400250e-15 | PASS |