Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-full-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 | -1.243449787580175e-14 | PASS |
Multipoles [step 0] | -3.169236113776883e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -9.049071001798312e-16 | PASS |
Multipoles [step 20] | -1.265536606512523e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 1.609823385706477e-15 | PASS |
Forces [step 0] | 8.537673799433509e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.554312234475219e-15 | PASS |
Forces [step 20] | 7.966960326023331e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 1.332267629550188e-15 | PASS |