Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766757e+01 -1.060686608766760e+01 1.060000000000000e-13 3.197442310920451e-14 PASS
Energy [step 20] -1.060637197121567e+01 -1.060637197121568e+01 1.060000000000000e-13 8.881784197001252e-15 PASS
Multipoles [step 0] 3.956110341662294e-16 0.000000000000000e+00 5.000000000000000e-15 3.956110341662294e-16 PASS
Multipoles [step 20] -1.265533510652002e-01 -1.265533510652042e-01 5.070000000000000e-15 3.996802888650564e-15 PASS
Compare to other inputs