Input 01-propagators.06-aetrs.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_autotools: [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] | -1.060637353666413e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
Multipoles [step 0] | 2.291175062174578e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.703191573372434e-15 | PASS |
Multipoles [step 20] | -1.265509663990616e-01 | -1.265509663990525e-01 | 1.300000000000000e-14 | -9.076073226310655e-15 | PASS |
Forces [step 0] | 8.537673799432755e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.931788062847772e-14 | PASS |
Forces [step 20] | 7.966840852243884e-02 | 7.966840852245660e-02 | 1.950000000000000e-14 | -1.776356839400250e-14 | PASS |