Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
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 | -7.105427357601002e-15 | PASS |
Multipoles [step 0] | -9.618268705905049e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.549810359392648e-15 | PASS |
Multipoles [step 20] | -1.265536606512527e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 1.165734175856414e-15 | PASS |
Forces [step 0] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
Forces [step 20] | 7.966960326023287e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 8.881784197001252e-16 | PASS |