Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 8.881784197001252e-15 | PASS |
Energy [step 20] | -1.060637205318229e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
Multipoles [step 0] | -7.786503985530469e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.366633887355190e-15 | PASS |
Multipoles [step 20] | -1.265536606512558e-01 | -1.265536606512456e-01 | 1.130000000000000e-14 | -1.024180740216707e-14 | PASS |
Forces [step 0] | 8.537673799433065e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.620925615952729e-14 | PASS |
Forces [step 20] | 7.966960326022754e-02 | 7.966960326024397e-02 | 1.810000000000000e-14 | -1.643130076445232e-14 | PASS |