Input 01-propagators.06-aetrs.inp

Commits > Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 > 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] -1.060637353666413e+01 -1.060637353666412e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] -9.618268705905049e-16 5.879834888021430e-16 4.510000000000000e-15 -1.549810359392648e-15 PASS
Multipoles [step 20] -1.265509663990622e-01 -1.265509663990618e-01 5.590000000000000e-15 -4.163336342344337e-16 PASS
Forces [step 0] 8.537673799433598e-02 8.537673799433354e-02 1.250000000000000e-14 2.442490654175344e-15 PASS
Forces [step 20] 7.966840852244594e-02 7.966840852244794e-02 8.059999999999999e-15 -1.998401444325282e-15 PASS
Compare to other inputs