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
Compare to other inputs