Input 12-electronic_subsystem_propagators.02-expmid.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-mpi-full: [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] -1.060647833783797e+01 -1.060647833783796e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] -9.533494599225229e-16 -8.908015926463452e-16 4.090000000000000e-15 -6.254786727617767e-17 PASS
Multipoles [step 20] -1.108549608270492e-01 -1.108549608270478e-01 4.210000000000000e-15 -1.429412144204889e-15 PASS
Compare to other inputs