Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766764e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637205318229e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 4.969561139553727e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -9.102737484677028e-17 | PASS |
| Multipoles [step 20] | -1.265536606512511e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 2.831068712794149e-15 | PASS |
| Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.966960326023331e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 1.332267629550188e-15 | PASS |