Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.000000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 20] -1.060634826182158e+01 -1.060634826182150e+01 5.000000000000000e-13 -7.638334409421077e-14 PASS
Multipoles [step 0] 7.256118313625146e-16 0.000000000000000e+00 5.000000000000000e-15 7.256118313625146e-16 PASS
Multipoles [step 20] -1.265537671052351e-01 -1.265537671052304e-01 5.000000000000000e-14 -4.690692279041286e-15 PASS
Compare to other inputs