Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Multipoles [step 0] -3.493322574569732e-16 0.000000000000000e+00 5.000000000000000e-15 -3.493322574569732e-16 PASS
Multipoles [step 20] -1.265533510652020e-01 -1.265533510652042e-01 5.070000000000000e-15 2.248201624865942e-15 PASS
Compare to other inputs