Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss-serial-debug: [foss2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.309263891220326e-14 | PASS |
Energy [step 20] | -1.060637205318230e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
Multipoles [step 0] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
Multipoles [step 20] | -1.265536606512555e-01 | -1.265536606512456e-01 | 1.130000000000000e-14 | -9.853229343548264e-15 | PASS |
Forces [step 0] | 8.537673799433110e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.576516694967722e-14 | PASS |
Forces [step 20] | 7.966960326022754e-02 | 7.966960326024397e-02 | 1.810000000000000e-14 | -1.643130076445232e-14 | PASS |