Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Multipoles [step 0] 2.566544633070267e-15 0.000000000000000e+00 5.000000000000000e-15 2.566544633070267e-15 PASS
Multipoles [step 20] -1.265533510651990e-01 -1.265533510652018e-01 3.540000000000000e-15 2.775557561562891e-15 PASS
Compare to other inputs