Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_omp_autotools: [intel2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
Energy [step 20] | -1.060637205318231e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -1.598721155460225e-14 | PASS |
Multipoles [step 0] | 4.685978167995319e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 4.097994679193176e-15 | PASS |
Multipoles [step 20] | -1.265536606512517e-01 | -1.265536606512456e-01 | 1.130000000000000e-14 | -6.133982211053990e-15 | PASS |
Forces [step 0] | 8.537673799432710e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.976196983832779e-14 | PASS |
Forces [step 20] | 7.966960326022887e-02 | 7.966960326024397e-02 | 1.810000000000000e-14 | -1.509903313490213e-14 | PASS |