Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-serial-debug: [intel2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 7.105427357601002e-15 | PASS |
Energy [step 20] | -1.060637205318228e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | 1.421085471520200e-14 | PASS |
Multipoles [step 0] | 2.291175062174578e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.703191573372434e-15 | PASS |
Multipoles [step 20] | -1.265536606512506e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 3.275157922644212e-15 | PASS |
Forces [step 0] | 8.537673799433243e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -1.110223024625157e-15 | PASS |
Forces [step 20] | 7.966960326023331e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 1.332267629550188e-15 | PASS |