Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 5.000000000000000e-13 0.000000000000000e+00 PASS
Energy [step 20] -1.060634826182155e+01 -1.060634826182150e+01 5.000000000000000e-13 -5.151434834260726e-14 PASS
Multipoles [step 0] 2.517952521290633e-15 0.000000000000000e+00 5.000000000000000e-15 2.517952521290633e-15 PASS
Multipoles [step 20] -1.265537671052323e-01 -1.265537671052304e-01 5.000000000000000e-14 -1.859623566247137e-15 PASS
Compare to other inputs