Input 01-propagators.06-aetrs.inp

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > 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] -1.060637353666410e+01 -1.060637353666412e+01 1.060000000000000e-13 1.421085471520200e-14 PASS
Multipoles [step 0] 4.685978167995319e-15 5.879834888021430e-16 4.510000000000000e-15 4.097994679193176e-15 PASS
Multipoles [step 20] -1.265509663990586e-01 -1.265509663990618e-01 5.590000000000000e-15 3.247402347028583e-15 PASS
Forces [step 0] 8.537673799433199e-02 8.537673799433354e-02 1.250000000000000e-14 -1.554312234475219e-15 PASS
Forces [step 20] 7.966840852244506e-02 7.966840852244794e-02 8.059999999999999e-15 -2.886579864025407e-15 PASS
Compare to other inputs