Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_mpi_opt_autotools: [foss2023a-mpi]

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 -8.881784197001252e-15 PASS
Multipoles [step 0] 5.813388710847710e-16 0.000000000000000e+00 5.000000000000000e-15 5.813388710847710e-16 PASS
Multipoles [step 20] -1.265533510652012e-01 -1.265533510652018e-01 3.540000000000000e-15 6.383782391594650e-16 PASS
Compare to other inputs